data_1qtt_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 1qtt _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.577 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.03 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.783 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.6 Cg_endo -74.91 94.69 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -42.82 -28.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.787 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.24 149.38 29.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.492 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 63.5 mt -130.36 147.1 52.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.787 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.0 m0 -131.55 110.61 11.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.603 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.9 p -70.17 118.64 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.287 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.4 t60 -113.89 -32.06 6.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.03 156.21 44.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -54.24 110.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 76.03 29.32 59.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.127 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mp -136.41 154.37 32.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.4 m-85 -148.05 151.52 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.81 133.81 49.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.1 -176.72 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -96.87 17.08 17.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -142.86 30.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 65.44 43.65 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' HG2' ' NE2' ' A' ' 48' ' ' GLN . 3.0 mtt-85 -119.63 115.84 24.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 12.1 p -78.04 146.19 35.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 110.334 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.534 ' N ' ' O ' ' A' ' 23' ' ' TYR . 59.2 m95 -128.94 157.47 41.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 107.996 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.49 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -122.47 96.67 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.529 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . . . -82.22 111.18 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.1 t -100.24 85.27 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.452 ' CG2' HD12 ' A' ' 67' ' ' LEU . 11.9 p -52.8 108.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.5 0.19 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.0 mt -126.38 128.53 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 11.6 ttp85 -130.3 125.7 35.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.01 88.11 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -66.81 108.2 2.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.281 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -95.54 111.15 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.459 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.1 tt0 -108.02 128.01 54.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.493 ' OE1' ' CE2' ' A' ' 31' ' ' TRP . 12.1 tp60 -86.67 121.98 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.366 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.51 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -155.49 161.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -89.22 105.86 18.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.921 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' A' ' 65' ' ' SER . 5.1 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -133.35 -56.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.529 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 3.9 mp -66.06 142.53 98.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.623 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.0 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.507 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -85.92 -4.92 59.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.711 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 3.6 ttp -173.76 139.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.459 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.8 m0 -108.36 155.55 20.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 108.057 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -137.71 98.07 3.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.467 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 11.8 tp -49.36 112.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.74 -177.45 0.61 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.91 169.56 22.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER 82.92 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.6 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 1.1 tt0 164.48 56.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -152.67 165.67 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.573 ' CD1' HD13 ' A' ' 89' ' ' ILE . 2.3 m-30 -114.56 126.64 55.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.559 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 1.3 ttt -99.56 121.73 41.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.486 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 26.2 p-10 -74.66 -168.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -117.11 -1.04 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.633 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.0 t-20 -81.39 -50.95 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 3.5 t 146.91 41.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.48 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 7.5 mtm-85 -148.08 160.17 43.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 87' ' ' TRP . 1.5 tt -124.14 118.63 27.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.372 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.636 ' CD2' ' HB2' ' A' ' 105' ' ' LEU . 8.2 m95 -91.18 137.9 32.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 108.052 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.8 tt0 -95.12 125.88 40.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.573 HD13 ' CD1' ' A' ' 79' ' ' TYR . 5.6 mm -65.05 92.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -45.6 70.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.6 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -171.99 141.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.657 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 22.6 t-80 -137.72 114.13 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.4 -170.76 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.2 ttm -130.12 130.48 44.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.5 t -135.28 140.3 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 47.53 39.78 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.32 26.11 71.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.459 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.2 t -129.94 133.82 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -91.18 114.68 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.445 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 31.2 tt0 -105.69 106.56 17.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.501 ' HG ' ' CD2' ' A' ' 92' ' ' HIS . 2.0 tt -102.14 122.41 44.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.6 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 2.9 mt -98.74 124.46 43.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.503 HD23 ' CD1' ' A' ' 89' ' ' ILE . 10.0 mt -113.75 130.63 56.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.0 tppt? -119.72 124.68 46.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.636 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 47.2 tp -102.53 136.1 42.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.543 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.04 174.54 12.61 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.512 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -74.99 89.76 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.495 1.787 . . . . 0.0 110.942 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.414 ' HA ' ' CB ' ' A' ' 73' ' ' LEU . 35.2 t70 -41.87 -29.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.727 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -147.98 149.61 32.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.558 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.6 mt -130.99 148.11 52.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.727 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -132.72 115.14 14.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.6 1.188 . . . . 0.0 108.023 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.584 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 8.2 p -74.13 121.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.343 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.445 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.8 t-160 -117.02 -36.29 3.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 109.618 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -128.48 161.5 29.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 23.3 mt-10 -50.7 113.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 66.06 21.88 70.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.2 mp -119.63 140.41 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.318 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.3 m-85 -136.3 152.26 50.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -110.16 132.77 53.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.377 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 26' ' ' GLU . 12.7 t0 -80.55 -176.88 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.491 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 6.1 pt-20 -95.84 19.14 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.258 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -146.43 31.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.396 1.06 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 65.84 41.7 3.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.45 116.05 26.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.473 ' N ' HE22 ' A' ' 48' ' ' GLN . 13.6 p -79.4 145.33 33.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.512 ' CE2' ' HG3' ' A' ' 12' ' ' PRO . 62.5 m95 -130.67 145.18 51.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 108.017 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.598 ' CG2' HD13 ' A' ' 49' ' ' ILE . 24.4 t -112.67 91.28 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -73.97 105.25 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.8 t -91.16 76.49 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 p -44.49 111.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.459 ' CE1' HD11 ' A' ' 106' ' ' LEU . 10.5 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.445 0.164 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mp -114.14 141.87 46.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.458 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 8.6 ttp180 -151.62 117.07 5.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.84 95.77 5.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.42 ' HD3' ' OE2' ' A' ' 100' ' ' GLU . 2.6 ttm180 -70.14 106.17 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -93.54 104.16 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.489 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -105.04 133.1 50.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.347 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.473 HE22 ' N ' ' A' ' 30' ' ' THR . 24.3 tp60 -87.97 122.88 32.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.598 HD13 ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -147.47 165.16 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.91 77.9 7.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -129.19 -62.58 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.482 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 3.4 mp -69.23 142.08 92.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.689 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.5 Cg_endo -74.95 166.39 29.33 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.811 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.63 -20.63 60.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.593 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 2.9 ttp -159.3 141.03 13.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.488 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -106.54 158.14 17.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 107.974 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -139.6 101.84 4.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.091 . . . . 0.0 110.26 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.459 HD13 ' CE1' ' A' ' 79' ' ' TYR . 4.3 tp -48.37 122.34 5.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.588 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -122.79 174.76 3.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.577 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.03 166.45 29.14 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER 80.87 12.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 63.35 53.33 2.2 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.42 ' CB ' HD21 ' A' ' 86' ' ' LEU . 21.9 mtp180 -148.79 155.81 41.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CD1' HD12 ' A' ' 89' ' ' ILE . 2.4 m-30 -106.32 126.22 51.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.588 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -99.24 117.59 34.04 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.515 1.134 . . . . 0.0 111.042 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.439 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 30.1 p30 -85.52 -172.11 3.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -110.94 -1.84 16.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 84' ' ' SER . 22.3 t30 -80.04 -4.16 51.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.8 OUTLIER 90.2 36.42 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.419 ' CB ' HD12 ' A' ' 105' ' ' LEU . 1.2 mtt85 -144.61 147.9 33.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.369 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 87' ' ' TRP . 1.6 tt -114.98 119.9 38.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.689 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 7.6 m95 -91.41 142.53 27.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' LYS . 4.5 tt0 -97.36 124.36 41.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.558 HD12 ' CD1' ' A' ' 79' ' ' TYR . 20.6 mm -62.74 87.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -48.58 -47.05 39.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.595 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -172.72 144.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.641 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.584 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 26.2 t-80 -139.94 110.92 6.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.596 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -143.18 -169.51 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.436 ' HE3' ' NE2' ' A' ' 99' ' ' GLN . 4.3 ttm -135.99 132.27 36.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 98' ' ' VAL . 60.2 t -139.35 138.42 40.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 48.38 40.62 15.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.263 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.73 16.64 63.85 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.552 1.157 . . . . 0.0 111.038 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.415 HG11 ' OE1' ' A' ' 47' ' ' GLN . 2.1 t -117.64 134.74 60.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.406 0.709 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.436 ' NE2' ' HE3' ' A' ' 94' ' ' MET . 3.6 mt-30 -96.94 119.11 34.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.261 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.461 ' HB2' ' OE1' ' A' ' 47' ' ' GLN . 29.5 tt0 -109.74 105.18 14.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 110.372 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.584 ' HG ' ' CD2' ' A' ' 92' ' ' HIS . 2.0 tt -101.46 123.79 46.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.593 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 3.0 mt -98.08 125.54 43.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.522 HD22 ' CG ' ' A' ' 79' ' ' TYR . 19.8 mt -117.37 124.33 48.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -113.04 128.17 56.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.629 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 37.8 tp -107.24 120.11 41.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.459 HD11 ' CE1' ' A' ' 41' ' ' PHE . 3.0 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.06 173.9 13.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.508 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.5 Cg_endo -74.94 93.84 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -44.92 -26.49 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.796 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.88 148.03 27.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.58 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 68.6 mt -129.96 145.74 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.361 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.796 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -131.01 111.84 12.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.598 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 9.4 p -71.68 119.16 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.424 ' CD2' ' C ' ' A' ' 18' ' ' HIS . 2.0 t60 -113.54 -29.44 7.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.604 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -135.65 158.93 43.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -52.4 111.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.59 21.57 79.48 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 1.1 mp -125.11 140.28 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.583 0.814 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.598 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.1 m-85 -137.25 153.0 50.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.946 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -109.16 132.2 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -80.94 -177.39 6.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 7.6 pt-20 -95.62 24.96 4.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.262 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -150.72 26.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 70.09 41.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.28 115.09 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.435 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 1.6 p -82.22 134.05 35.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 0.0 110.393 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.508 ' CE2' ' HG3' ' A' ' 12' ' ' PRO . 49.2 m95 -115.55 154.47 29.32 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.3 t -116.82 93.86 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -79.1 110.77 14.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.406 HG12 ' NH2' ' A' ' 45' ' ' ARG . 73.2 t -99.7 81.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.1 p -47.11 109.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.402 ' HB3' ' HD2' ' A' ' 104' ' ' LYS . 12.0 m-85 . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.435 0.16 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -121.92 97.89 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 19.3 ttp180 -104.76 125.08 50.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.63 92.54 3.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.406 ' NH2' HG12 ' A' ' 34' ' ' VAL . 5.0 ttm180 -67.99 109.34 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 1.5 t -98.16 111.95 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.379 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 32' ' ' VAL . 2.4 tt0 -108.26 130.38 55.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 30' ' ' THR . 6.3 tp-100 -87.11 124.79 33.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.484 HD13 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -153.05 161.44 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -93.18 94.0 8.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.278 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -117.43 -60.28 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.243 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 3.8 mp -66.01 141.49 97.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.643 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -74.94 171.33 18.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.073 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.485 HD11 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -77.39 -17.6 58.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.494 ' HG2' ' N ' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -162.01 145.74 12.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.494 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.6 m0 -111.53 154.44 24.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' MET . 3.2 tp60 -134.12 96.19 3.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 79' ' ' TYR . 12.2 tp -47.88 116.21 1.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.574 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -99.96 -179.16 0.78 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.6 Cg_endo -74.92 171.86 17.46 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 1.8 tm-20 77.51 -76.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 76' ' ' GLU . 9.4 pt-20 167.72 56.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.48 ' CB ' HD12 ' A' ' 86' ' ' LEU . 2.2 mtt180 -149.61 163.56 37.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.576 1.172 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.571 ' CE1' HD12 ' A' ' 73' ' ' LEU . 2.3 m-85 -117.2 120.57 38.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.574 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -95.9 124.29 39.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.444 ' HB3' ' HG3' ' A' ' 68' ' ' PRO . 2.3 p30 -92.91 176.9 6.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.374 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -100.26 -1.55 36.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 84' ' ' SER . 10.1 t-20 -78.34 -1.59 34.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.5 OUTLIER 85.62 41.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.054 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.446 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 42.0 mtt-85 -145.55 156.91 44.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.48 HD12 ' CB ' ' A' ' 78' ' ' ARG . 2.0 tm? -121.49 116.62 25.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.643 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 8.1 m95 -94.84 140.91 29.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 107.954 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.7 tt0 -101.27 124.61 47.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.571 HD11 ' CD1' ' A' ' 79' ' ' TYR . 16.4 mm -62.59 94.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -51.65 -48.61 63.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.232 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.649 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -174.01 130.5 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.633 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 26.1 t-80 -121.36 112.06 18.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.583 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.599 HD21 ' CD2' ' A' ' 91' ' ' HIS . 0.5 OUTLIER -145.13 177.21 8.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.414 ' CE ' ' HG3' ' A' ' 99' ' ' GLN . 3.2 ttm -125.35 130.32 51.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.6 t -134.46 140.3 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 48.05 38.43 9.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.11 23.9 73.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.584 1.177 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 95' ' ' VAL . 2.1 t -126.45 129.66 71.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.414 ' HG3' ' CE ' ' A' ' 94' ' ' MET . 38.1 mt-30 -89.53 116.06 27.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.422 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 27.1 tt0 -106.93 103.68 13.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.561 ' CD2' ' CD1' ' A' ' 89' ' ' ILE . 2.2 tt -99.26 121.06 40.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.649 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.6 mt -97.41 120.19 37.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 79' ' ' TYR . 17.0 mt -109.97 131.26 55.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.082 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.2 OUTLIER -120.76 130.17 53.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.571 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 20.8 tp -107.65 121.89 45.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.654 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.91 173.56 14.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.422 1.749 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.527 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.2 Cg_endo -74.96 95.22 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.544 1.813 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -42.57 -28.11 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.793 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -153.2 146.58 24.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.654 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 58.6 mt -127.52 145.34 50.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.793 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.1 m0 -130.08 112.34 13.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 108.042 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.607 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.9 p -72.14 118.5 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.461 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.7 t-160 -115.43 -32.9 5.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.637 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.464 ' HB2' ' CG2' ' A' ' 22' ' ' ILE . 1.8 mt-30 -128.72 159.76 34.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.225 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.52 109.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 73.26 17.36 78.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 19' ' ' GLN . 1.0 OUTLIER -119.99 140.53 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.406 0.709 . . . . 0.0 109.266 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.9 m-85 -135.84 153.72 51.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -108.7 134.45 51.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.429 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 24.5 t0 -87.29 -179.03 6.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -91.68 20.71 5.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.546 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 6.4 m-85 -148.59 45.15 1.03 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 7.4 pt20 48.14 45.79 19.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HB2' ' HB3' ' A' ' 25' ' ' ASP . 0.3 OUTLIER -124.51 113.63 18.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.7 p -74.18 151.15 40.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.527 ' CE2' ' HG3' ' A' ' 12' ' ' PRO . 51.4 m95 -132.13 144.93 51.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 108.008 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.459 ' HB ' ' CD1' ' A' ' 49' ' ' ILE . 2.3 t -109.29 93.51 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.357 1.036 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -81.91 92.54 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.1 t -82.34 92.29 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 p -53.72 109.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.234 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.559 0.219 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.429 HD11 ' N ' ' A' ' 42' ' ' LEU . 3.5 mp -118.63 141.86 48.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 44' ' ' ALA . 12.5 ttp180 -151.55 147.45 26.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.433 ' N ' ' HG3' ' A' ' 43' ' ' ARG . . . -139.81 103.52 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -74.26 107.19 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -92.93 109.33 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' HG3' ' CG1' ' A' ' 98' ' ' VAL . 1.2 tt0 -111.93 130.25 55.9 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.474 ' OE1' ' NE2' ' A' ' 99' ' ' GLN . 0.8 OUTLIER -87.3 121.32 29.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.459 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -146.66 163.22 8.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -86.09 101.37 12.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.3 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -120.2 -55.44 2.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 3.0 mp -71.72 145.3 89.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.649 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -74.92 172.21 16.79 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.449 1.762 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.536 HD21 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -80.06 -10.4 59.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.557 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 3.6 tmm? -170.32 143.35 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.475 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.7 m0 -109.55 155.38 21.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 107.994 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -137.03 106.36 6.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.392 1.057 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 74' ' ' TYR . 1.9 tp -55.41 112.8 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.368 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.605 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -101.68 -176.91 0.5 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.01 -175.53 2.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 5.9 mm-40 68.16 -77.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.591 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 2.5 tt0 163.2 60.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.2 mtm-85 -157.11 161.76 39.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.553 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.3 m-30 -107.58 121.5 44.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.605 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -96.92 115.95 28.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.488 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 17.7 p-10 -80.71 -170.3 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.92 -5.89 13.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.56 ' O ' ' CB ' ' A' ' 84' ' ' SER . 6.1 t-20 -79.12 -3.58 46.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.442 1.089 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.9 OUTLIER 90.24 37.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.069 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -136.22 155.57 49.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.232 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.425 HD21 ' N ' ' A' ' 87' ' ' TRP . 0.5 OUTLIER -124.57 115.45 20.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.649 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 7.9 m95 -94.05 134.44 36.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 108.029 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.4 tt0 -93.57 117.15 29.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.553 HD11 ' CD1' ' A' ' 79' ' ' TYR . 20.3 mm -54.27 90.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -50.19 -46.35 54.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.628 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.59 139.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.565 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.654 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 25.3 t-80 -135.79 112.2 9.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.568 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.51 -174.14 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -106.02 125.68 51.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 98' ' ' VAL . 5.0 t -122.47 124.28 70.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 49.04 34.78 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 75.36 21.01 78.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.565 1.166 . . . . 0.0 110.952 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.45 ' CG1' ' HG3' ' A' ' 47' ' ' GLN . 2.1 t -126.01 128.01 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.474 ' NE2' ' OE1' ' A' ' 48' ' ' GLN . 3.0 mp0 -73.34 107.52 5.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.252 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.458 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 33.6 tt0 -103.96 108.93 20.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.581 ' HG ' ' CD2' ' A' ' 92' ' ' HIS . 2.0 tt -105.2 122.09 45.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.628 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.6 mt -98.98 120.3 39.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.541 HD22 ' CG ' ' A' ' 79' ' ' TYR . 14.3 mt -108.7 129.02 55.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 88' ' ' GLN . 1.1 tmmm? -117.34 123.67 47.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.562 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 22.2 tp -101.13 126.44 47.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.245 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.04 174.39 12.87 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.444 1.76 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.469 ' HG3' ' CZ2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -75.04 93.06 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.415 ' HB3' ' OE2' ' A' ' 26' ' ' GLU . 28.2 t70 -41.28 -28.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.82 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -153.03 151.27 30.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.45 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 63.2 mt -130.5 146.02 51.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.82 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -130.27 112.46 13.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.025 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.595 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 8.5 p -71.16 121.07 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.446 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.8 t60 -114.88 -32.99 5.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.47 160.34 37.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -52.08 110.2 0.46 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.26 23.0 78.64 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.601 1.188 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp -126.09 136.11 61.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 0.805 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.5 m-85 -133.56 154.08 51.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.95 134.12 52.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.467 ' CB ' ' HB2' ' A' ' 29' ' ' ARG . 22.5 t0 -82.76 -177.16 6.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.481 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 5.6 pt-20 -96.67 18.12 14.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -140.46 25.3 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 67.79 44.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.467 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 47.0 mtt180 -121.83 115.37 22.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.608 1.192 . . . . 0.0 110.265 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.3 p -76.21 146.2 39.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.469 ' CZ2' ' HG3' ' A' ' 12' ' ' PRO . 58.0 m95 -127.55 155.25 44.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.527 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.1 t -120.18 87.89 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -73.67 104.88 4.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.1 t -95.74 81.05 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.354 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 p -43.89 107.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 43' ' ' ARG . 9.9 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.527 ' CD1' ' HD3' ' A' ' 104' ' ' LYS . 9.6 m-85 . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.546 0.212 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.43 ' CD2' ' C ' ' A' ' 41' ' ' PHE . 2.5 mm? -126.63 93.66 3.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.112 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 1.4 ttp180 -103.77 134.66 46.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.44 109.44 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -80.58 106.25 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.258 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.449 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -93.53 105.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.284 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.648 ' OE1' ' CG1' ' A' ' 98' ' ' VAL . 0.1 OUTLIER -105.08 129.85 53.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.15 . . . . 0.0 110.263 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.432 ' C ' HG21 ' A' ' 49' ' ' ILE . 1.3 tm0? -90.07 120.07 30.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -148.34 164.53 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.416 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -87.93 102.48 14.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -125.54 -59.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.232 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 4.2 mp -65.68 142.12 98.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.609 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.99 169.52 22.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 110.992 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.457 HD22 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -77.71 -8.98 58.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.609 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -170.69 142.91 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.506 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -109.51 155.22 21.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 108.041 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -137.17 99.59 4.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.582 HD13 ' CE1' ' A' ' 79' ' ' TYR . 10.8 tp -51.11 112.68 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.585 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.82 -178.87 0.77 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -75.04 174.86 12.07 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.477 1.777 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.611 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.1 OUTLIER 78.69 -81.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.266 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.611 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 44.2 tt0 169.71 55.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.505 ' CD ' ' C ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -155.12 162.98 40.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.582 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-85 -110.86 124.42 52.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.585 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -99.35 120.31 39.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.483 ' OD2' ' C ' ' A' ' 81' ' ' ASP . 42.4 p30 -85.67 -174.16 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.98 0.53 20.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.572 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.6 t-20 -80.11 -4.18 51.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 1.6 t 91.12 36.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.961 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.479 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 21.6 mmt-85 -142.67 163.55 32.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.498 ' CD2' ' HB3' ' A' ' 78' ' ' ARG . 1.5 tt -126.14 121.53 33.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.645 ' CD2' ' HB2' ' A' ' 105' ' ' LEU . 8.0 m95 -96.53 137.58 35.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' A' ' 104' ' ' LYS . 5.0 tt0 -97.51 126.17 42.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.505 HD12 ' CD1' ' A' ' 79' ' ' TYR . 19.7 mm -63.45 94.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -54.45 -45.35 73.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.216 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.585 ' CE1' HD13 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -173.03 135.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.547 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 21.6 t-80 -131.42 116.23 17.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.611 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.473 HD23 ' CD2' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -153.02 -179.22 7.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.215 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.403 ' CE ' ' HG3' ' A' ' 99' ' ' GLN . 4.6 ttm -128.81 132.57 47.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.2 t -136.72 138.88 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 48.94 37.78 10.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 68.91 20.71 74.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.648 ' CG1' ' OE1' ' A' ' 47' ' ' GLN . 2.0 t -122.35 130.83 74.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.403 ' HG3' ' CE ' ' A' ' 94' ' ' MET . 21.9 mt-30 -94.15 116.06 28.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -107.94 104.02 13.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.564 ' HG ' ' CD2' ' A' ' 92' ' ' HIS . 1.9 tt -99.7 123.12 43.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.585 HD13 ' CE1' ' A' ' 91' ' ' HIS . 3.1 mt -98.23 121.36 40.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.499 HD21 ' CG ' ' A' ' 79' ' ' TYR . 18.0 mt -112.0 129.36 56.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.562 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -119.58 129.59 54.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.645 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 45.0 tp -108.32 123.96 49.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.235 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.587 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.93 173.55 14.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.443 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.3 Cg_endo -74.97 94.16 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 110.982 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -41.78 -28.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.753 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.87 148.31 27.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 57.5 mt -128.29 147.14 50.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.753 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.1 m0 -130.53 111.77 12.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 108.008 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.515 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 8.2 p -67.39 122.6 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -114.35 -33.01 5.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 109.595 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -138.68 158.34 44.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.482 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 6.0 pt-20 -51.1 108.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 77.76 23.73 66.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 4.4 mp -130.21 139.22 51.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.44 0.729 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.525 ' OH ' ' HB3' ' A' ' 67' ' ' LEU . 13.9 m-85 -137.04 153.25 50.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.038 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.91 134.95 50.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' ARG . 28.8 t0 -80.87 180.0 7.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.598 1.186 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 16.2 pt-20 -95.73 14.4 23.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -140.18 29.94 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 66.69 47.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.586 1.178 . . . . 0.0 110.287 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 25' ' ' ASP . 2.7 mtt180 -125.46 117.43 23.65 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.437 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 19.1 p -79.01 148.04 32.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.493 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 63.0 m95 -133.41 148.56 51.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.523 ' CG2' HD12 ' A' ' 49' ' ' ILE . 2.4 t -114.78 92.89 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.211 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -77.24 111.81 13.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.7 t -103.07 97.12 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.249 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.27 115.37 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 110.327 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.435 ' CD2' ' HE3' ' A' ' 104' ' ' LYS . 19.7 m-85 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.465 0.174 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -120.67 88.2 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 11.0 ttm180 -96.72 121.68 38.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.229 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -110.14 82.42 1.59 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.409 ' HG3' ' CD2' ' A' ' 102' ' ' LEU . 3.0 ttm-85 -58.96 110.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 1.1 t -99.0 109.58 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.509 ' HG3' ' CG1' ' A' ' 98' ' ' VAL . 3.3 tt0 -106.77 134.34 50.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.477 ' OE1' ' NE1' ' A' ' 31' ' ' TRP . 30.9 tp60 -88.29 126.83 35.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.523 HD12 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -154.06 177.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -109.25 107.12 17.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -127.84 -61.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.352 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.525 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 3.7 mp -67.08 142.97 97.55 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.655 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.0 Cg_endo -75.08 162.09 37.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.54 1.811 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.43 HD11 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -69.65 -19.19 63.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.61 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 6.2 ttp -161.08 143.26 12.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.5 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.7 m0 -108.94 154.5 22.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -137.74 93.33 2.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 110.327 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.565 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 4.2 tp -40.99 124.49 2.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.569 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -120.79 -178.53 0.6 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.561 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.01 166.11 29.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 78.37 6.88 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.364 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 70.92 49.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -140.16 160.19 40.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 73' ' ' LEU . 2.5 m-30 -112.03 121.66 45.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.569 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -97.06 117.0 30.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.49 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 34.3 p30 -71.04 -172.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -114.04 0.51 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.636 ' O ' ' CB ' ' A' ' 84' ' ' SER . 6.2 t-20 -82.02 -51.03 8.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 2.8 m 146.91 39.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.464 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 20.3 mtt180 -144.87 161.53 39.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.345 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.402 HD21 ' N ' ' A' ' 87' ' ' TRP . 1.1 tt -127.33 115.75 19.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.655 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 8.2 m95 -90.14 136.95 32.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 104' ' ' LYS . 4.2 tt0 -95.65 121.6 37.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.55 HD12 ' CD1' ' A' ' 79' ' ' TYR . 7.6 mm -60.66 92.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -44.38 66.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.075 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.624 ' CE1' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.38 143.15 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.616 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.587 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 24.7 t-80 -139.88 115.71 10.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.623 1.202 . . . . 0.0 109.601 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.575 HD12 ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -157.89 -171.36 3.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.445 ' HE3' ' NE2' ' A' ' 99' ' ' GLN . 2.9 ttm -117.09 124.76 50.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.3 t -124.24 132.36 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER 49.02 38.61 12.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.92 26.32 73.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.509 ' CG1' ' HG3' ' A' ' 47' ' ' GLN . 2.1 t -130.76 135.6 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.445 ' NE2' ' HE3' ' A' ' 94' ' ' MET . 14.0 mm-40 -82.57 113.69 20.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.454 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 35.1 tt0 -109.79 106.21 15.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.577 ' HG ' ' CD2' ' A' ' 92' ' ' HIS . 2.0 tt -104.42 122.58 45.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.624 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 2.4 mt -99.33 123.85 43.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' ' 43' ' ' ARG . 18.0 mt -113.63 127.73 56.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -116.47 129.8 56.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.6 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 46.6 tp -109.15 116.06 31.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -75.03 174.15 13.29 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.513 1.796 . . . . 0.0 110.971 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.498 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.4 Cg_endo -74.94 90.95 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.805 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.413 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 14.3 t0 -40.6 -29.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.231 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.803 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -151.04 149.3 29.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.612 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.49 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 62.3 mt -129.29 146.46 51.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.803 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.1 m0 -131.58 111.3 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.163 . . . . 0.0 107.999 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.576 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 11.1 p -71.74 118.26 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.464 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.6 t-160 -114.91 -33.65 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.642 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -125.96 161.11 28.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -54.63 113.35 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 69.47 23.75 76.39 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.442 1.088 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp -122.56 157.46 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.2 m-85 -151.08 149.34 29.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' TRP . 1.4 ttp85 -105.74 131.12 53.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -81.49 179.9 7.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 13.1 tt0 -94.19 16.83 13.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -140.99 28.34 1.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 65.69 48.02 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HB3' ' NE2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -126.86 117.44 22.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.29 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.416 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 1.4 p -80.43 134.45 36.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.498 ' CE2' ' HG3' ' A' ' 12' ' ' PRO . 54.5 m95 -116.84 150.35 38.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 107.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.528 ' CG2' HD12 ' A' ' 49' ' ' ILE . 2.5 t -116.79 103.47 15.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.523 ' HB1' ' CD2' ' A' ' 67' ' ' LEU . . . -87.15 112.92 22.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.6 t -100.05 81.73 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 p -45.99 112.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.36 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.544 0.211 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -119.83 104.3 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.243 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 23.0 ttm180 -113.98 133.78 55.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.21 89.96 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -64.69 110.27 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 101' ' ' LEU . 1.9 t -98.91 117.35 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -111.04 134.62 52.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.424 ' OE1' ' N ' ' A' ' 49' ' ' ILE . 5.8 tp-100 -93.01 123.28 36.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.574 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -147.77 165.2 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.78 82.02 3.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.407 ' O ' ' OG ' ' A' ' 65' ' ' SER . 1.1 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -122.84 -59.42 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.523 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 3.3 mp -67.84 140.13 93.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.365 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.655 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.04 167.18 27.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.545 1.813 . . . . 0.0 110.979 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.49 HD12 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -75.32 -14.64 60.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.38 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.622 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -164.33 141.67 6.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.072 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.507 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.3 m0 -107.46 155.77 19.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 80' ' ' MET . 2.8 tp60 -135.37 98.93 4.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.549 HD13 ' CE1' ' A' ' 79' ' ' TYR . 11.5 tp -51.34 115.98 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -101.39 -177.43 0.56 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.551 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.06 179.21 6.32 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 1.1 mm-40 70.6 -79.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 9.5 tt0 168.66 62.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.468 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 84.4 mtt180 -157.27 160.14 38.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.556 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.3 m-85 -111.39 121.44 45.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.559 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -94.93 121.2 36.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.965 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.482 ' OD2' ' C ' ' A' ' 81' ' ' ASP . 42.9 p30 -87.24 -173.37 4.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -109.63 0.62 19.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.231 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.538 ' O ' ' CB ' ' A' ' 84' ' ' SER . 5.5 t-20 -82.12 -2.91 53.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 88.51 36.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.436 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 9.1 mtt180 -141.31 156.3 45.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -120.48 119.47 33.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.371 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.655 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 8.3 m95 -94.22 136.31 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 108.02 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 104' ' ' LYS . 4.2 tt0 -94.54 122.7 37.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.556 HD11 ' CD1' ' A' ' 79' ' ' TYR . 9.9 mm -63.47 94.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -45.66 70.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.217 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.7 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.98 147.56 2.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.548 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 25.1 t-80 -142.93 109.6 5.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.655 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.5 HD22 ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -145.85 -170.56 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.261 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.8 ttm -131.22 129.39 41.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 98' ' ' VAL . 49.4 t -134.79 139.46 47.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? 47.58 39.44 9.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.246 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.15 27.07 72.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.115 . . . . 0.0 111.043 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.453 HG22 HG23 ' A' ' 49' ' ' ILE . 2.1 t -130.33 134.5 62.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -95.32 115.4 27.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.42 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 30.8 tt0 -106.27 110.68 23.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.507 ' CD2' ' CD1' ' A' ' 89' ' ' ILE . 1.8 tt -105.77 121.89 44.95 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.7 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.2 mt -98.02 125.49 43.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.487 ' CD2' ' HB2' ' A' ' 79' ' ' TYR . 17.4 mt -115.24 129.15 56.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -118.53 127.03 53.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.629 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 35.1 tp -106.39 122.97 47.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.521 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.01 173.91 13.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.047 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.474 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.2 Cg_endo -75.0 93.15 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.431 1.753 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.416 ' HA ' ' CB ' ' A' ' 73' ' ' LEU . 15.6 t0 -41.86 -29.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.811 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -151.4 148.82 28.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.57 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 62.6 mt -129.37 146.12 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.811 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.6 m0 -130.81 112.64 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.601 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 8.3 p -73.49 119.14 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.474 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.5 t-160 -115.22 -34.38 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.575 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -127.67 158.24 38.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.348 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.02 110.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 71.93 21.72 78.96 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mp -124.09 139.16 51.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.583 0.813 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.601 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.3 m-85 -134.83 152.26 51.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -107.05 133.23 52.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.093 . . . . 0.0 110.294 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -85.7 179.7 7.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.18 23.54 2.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.461 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 8.1 m-85 -154.13 48.56 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 7.4 pm0 46.72 41.84 10.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.175 . . . . 0.0 110.28 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.87 110.09 17.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.465 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 7.1 p -74.98 144.53 43.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.371 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.505 ' CH2' ' HB3' ' A' ' 99' ' ' GLN . 49.7 m95 -124.64 153.1 42.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.02 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.58 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.1 t -117.51 97.91 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -83.07 104.56 13.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.419 HG13 ' NH2' ' A' ' 45' ' ' ARG . 99.1 t -89.21 75.97 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 p -52.13 109.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 3.1 pt-20 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.552 0.215 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -128.87 101.88 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 23.4 ttp85 -110.52 125.41 53.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.1 92.4 3.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.366 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.419 ' NH2' HG13 ' A' ' 34' ' ' VAL . 4.7 ttm180 -70.51 109.59 4.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.497 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -96.5 113.42 30.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.6 tt0 -109.05 133.75 52.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.513 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 27.6 tp60 -90.8 124.45 35.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.542 HD13 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -156.44 168.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.427 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 1.0 OUTLIER -91.59 112.03 23.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.364 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -119.64 -57.71 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 3.3 mp -66.84 143.12 97.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.62 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -74.98 168.37 25.0 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.415 HD22 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.95 -24.3 59.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.511 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -156.7 140.6 16.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.493 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.6 m0 -105.39 155.07 19.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.038 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 80' ' ' MET . 2.9 tp60 -134.09 95.81 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.522 HD13 ' CE1' ' A' ' 79' ' ' TYR . 1.0 OUTLIER -41.87 123.07 2.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.595 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -124.59 175.55 2.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -74.91 177.81 8.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 1.0 OUTLIER 67.32 19.49 10.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 58.61 50.91 8.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 110.264 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.486 ' CB ' HD23 ' A' ' 86' ' ' LEU . 24.0 mtm180 -144.2 157.85 44.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-30 -111.57 128.93 56.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.595 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -101.43 119.35 38.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.408 ' HB3' ' HG3' ' A' ' 68' ' ' PRO . 7.4 p30 -92.52 176.08 6.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -97.59 2.32 49.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 84' ' ' SER . 1.9 t-20 -79.25 -2.16 39.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.9 OUTLIER 85.65 36.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.937 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.458 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 17.2 mmt85 -144.51 162.24 37.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 110.277 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.486 HD23 ' CB ' ' A' ' 78' ' ' ARG . 1.3 tt -125.85 116.25 21.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.635 ' CD2' ' HB2' ' A' ' 105' ' ' LEU . 9.3 m95 -89.63 140.26 29.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 107.96 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.7 tt0 -96.17 129.13 43.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.576 HD11 ' CD1' ' A' ' 79' ' ' TYR . 5.6 mm -73.11 90.94 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -53.47 -42.08 66.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.66 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -170.53 150.41 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.547 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.521 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 15.4 t-80 -147.96 115.09 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.587 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.626 HD13 ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -152.52 -172.91 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 1.3 ttp -140.85 122.32 15.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.8 t -126.91 143.31 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.88 34.85 8.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 69.13 23.97 76.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.453 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.0 t -124.17 126.28 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.505 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -91.26 117.86 30.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 110.285 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.434 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 35.1 tt0 -111.52 104.68 13.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.48 HD22 ' CD1' ' A' ' 89' ' ' ILE . 1.9 tt -102.45 124.78 48.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.66 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.4 mt -100.74 128.16 46.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.464 HD23 ' CG ' ' A' ' 79' ' ' TYR . 17.2 mt -118.31 131.92 56.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -120.03 126.29 50.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.635 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 37.3 tp -106.44 114.45 28.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.908 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.581 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -74.98 174.83 12.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.464 1.77 . . . . 0.0 111.011 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.528 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.3 Cg_endo -75.0 91.65 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' PRO . 15.7 t70 -40.09 -29.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.787 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.54 146.83 26.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.548 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 56.0 mt -126.2 150.1 48.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.787 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 15.8 m0 -132.08 106.65 8.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 108.026 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.548 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 2.0 p -65.96 124.61 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 109.248 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -113.43 -31.84 6.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.638 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -146.46 160.69 41.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.452 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 9.8 pt-20 -49.58 109.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 110.26 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.467 ' CA ' ' O ' ' A' ' 33' ' ' ALA . . . 74.95 24.93 70.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.452 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 3.2 mp -130.44 130.44 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.548 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.4 m-85 -133.71 153.8 51.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.058 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -111.53 131.86 54.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' ARG . 12.0 t0 -80.15 176.7 9.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.533 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 11.9 tt0 -91.38 24.28 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.591 1.182 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -149.47 27.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 67.91 40.21 2.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER -115.78 114.87 25.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.871 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.8 p -79.48 140.84 37.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.479 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 53.6 m95 -122.57 156.15 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 108.038 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.1 t -119.78 93.98 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.493 ' HB1' ' CD2' ' A' ' 67' ' ' LEU . . . -76.43 116.49 17.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 t -106.85 90.61 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.2 p -64.91 113.98 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.348 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.471 0.177 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.472 ' O ' ' CD ' ' A' ' 104' ' ' LYS . 39.7 mt -116.48 140.2 49.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -149.1 118.7 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.84 85.98 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -64.6 108.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 101' ' ' LEU . 1.1 t -95.62 110.79 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.2 tt0 -110.58 127.69 55.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.462 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 1.1 tm0? -89.0 118.93 29.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.506 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -154.7 159.73 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -69.38 114.26 7.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -138.68 -57.85 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.142 . . . . 0.0 110.34 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.514 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 2.5 mp -66.8 144.56 98.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.698 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.04 167.65 26.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.986 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.91 -40.28 72.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.685 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 5.3 ttp -140.52 141.67 35.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.497 ' CZ3' ' CE2' ' A' ' 23' ' ' TYR . 1.7 m0 -106.42 157.9 17.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 108.033 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -139.41 107.25 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.532 HD13 ' CE1' ' A' ' 79' ' ' TYR . 8.6 tp -59.7 115.41 3.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.253 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.55 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -102.12 -178.47 0.66 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.949 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.02 165.5 31.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 6.3 tt0 86.45 -75.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.582 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 4.4 tt0 162.08 56.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.442 ' CB ' HD21 ' A' ' 86' ' ' LEU . 14.7 mtp180 -153.91 158.58 40.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.579 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-30 -107.44 126.04 51.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.535 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.6 OUTLIER -99.46 117.34 33.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.434 ' OD1' ' CD1' ' A' ' 87' ' ' TRP . 1.6 p30 -89.27 177.28 6.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.69 0.94 42.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 84' ' ' SER . 18.3 t30 -80.44 -2.61 46.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.6 OUTLIER 86.86 34.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.429 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -141.3 158.92 43.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.203 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.442 HD21 ' CB ' ' A' ' 78' ' ' ARG . 1.3 tt -125.03 114.94 19.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.698 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 8.3 m95 -89.1 139.42 30.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.062 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.7 tt0 -94.91 122.52 37.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.579 HD11 ' CD1' ' A' ' 79' ' ' TYR . 16.9 mm -63.18 90.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.77 -44.13 58.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.698 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.66 154.99 3.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.581 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 22.0 t-80 -151.88 112.19 4.11 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.095 . . . . 0.0 109.587 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.611 HD11 ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -152.91 -170.44 3.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 2.5 ttm -121.44 122.44 39.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.442 1.088 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.7 t -125.72 134.34 66.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 50.07 38.13 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.246 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 68.28 24.79 74.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.439 ' CG2' HG21 ' A' ' 49' ' ' ILE . 2.1 t -131.62 131.53 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.78 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -86.0 112.35 21.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.449 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 35.3 tt0 -103.78 113.9 27.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' VAL . 1.8 tt -108.34 125.26 51.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.698 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 1.9 mt -101.68 129.84 47.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.519 HD23 ' CG ' ' A' ' 79' ' ' TYR . 15.8 mt -118.61 125.86 50.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -114.65 126.62 55.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.628 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 43.4 tp -106.37 118.04 35.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.924 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.627 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.98 174.51 12.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.525 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.3 Cg_endo -74.98 95.35 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.792 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -43.18 -27.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.807 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -155.07 148.76 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.567 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 49.8 mt -126.77 147.44 49.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.807 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 15.7 m0 -131.03 111.6 12.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 107.959 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.6 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 9.5 p -70.57 122.99 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.438 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.8 t-160 -114.78 -33.71 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.087 . . . . 0.0 109.603 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -133.22 167.5 20.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.268 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -59.87 108.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 77.89 22.14 69.71 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.464 1.103 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 mp -124.15 155.47 31.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.574 0.808 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.0 m-85 -153.3 152.94 31.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -110.48 132.48 54.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' ARG . 26.9 t0 -80.12 178.68 8.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.374 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.553 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 26.5 tt0 -93.72 18.87 9.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -144.9 29.13 1.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 67.26 45.56 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.576 ' NH1' HE22 ' A' ' 99' ' ' GLN . 1.4 mtm180 -122.42 116.16 23.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.602 1.189 . . . . 0.0 110.264 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 p -79.95 139.05 37.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.524 ' CE2' ' HG3' ' A' ' 12' ' ' PRO . 58.4 m95 -123.54 152.93 41.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 107.984 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.486 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -121.48 96.41 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -83.11 103.93 12.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.6 t -91.0 75.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 p -41.79 111.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.502 0.192 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -123.01 107.92 12.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.221 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -113.2 125.92 54.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.88 93.12 4.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 33' ' ' ALA . 2.9 ttm-85 -68.54 106.04 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -93.86 108.39 20.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' VAL . 2.2 tt0 -106.33 129.46 54.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.433 ' C ' HG23 ' A' ' 49' ' ' ILE . 1.6 tm0? -87.91 120.92 29.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.364 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.486 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -148.4 162.49 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -89.62 107.42 19.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.5 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.29 -64.33 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 110.268 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.484 HD11 ' N ' ' A' ' 67' ' ' LEU . 3.7 mp -58.5 144.5 78.73 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.67 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.1 Cg_endo -75.03 149.73 37.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.778 . . . . 0.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.452 HD12 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -59.38 -23.04 62.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.606 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -157.47 138.28 13.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.582 ' CD1' ' HG2' ' A' ' 68' ' ' PRO . 1.4 m0 -103.78 157.73 16.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.059 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 80' ' ' MET . 2.8 tp60 -138.03 96.87 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.569 ' HA ' ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -41.61 125.01 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -121.98 167.69 13.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.949 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.468 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.97 164.75 32.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 0.2 OUTLIER 82.7 9.65 0.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.325 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 70.91 58.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.463 ' CB ' HD11 ' A' ' 86' ' ' LEU . 71.6 mtt180 -155.26 162.06 40.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-30 -117.52 130.26 56.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.102 . . . . 0.0 111.041 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.565 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 0.6 OUTLIER -103.87 123.94 48.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.486 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 29.1 p30 -79.13 -173.58 3.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -113.77 0.79 14.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.652 ' O ' ' CB ' ' A' ' 84' ' ' SER . 8.3 t-20 -83.14 -50.47 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 2.9 m 145.38 40.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.996 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.426 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 34.2 mtt85 -144.42 157.55 44.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.279 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.508 ' CD2' ' HB2' ' A' ' 80' ' ' MET . 0.4 OUTLIER -123.39 117.59 25.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.67 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 7.6 m95 -97.16 143.56 27.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 107.998 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -102.65 133.71 47.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 110.304 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.576 HD11 ' CD1' ' A' ' 79' ' ' TYR . 17.7 mm -69.63 89.01 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 102' ' ' LEU . 1.7 mm-40 -47.95 -47.47 32.58 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.581 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -173.86 126.37 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.534 1.146 . . . . 0.0 109.561 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.627 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 23.6 t-80 -119.39 114.18 21.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.596 1.185 . . . . 0.0 109.632 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.7 OUTLIER -152.12 177.39 10.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.227 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.403 ' HE2' ' C ' ' A' ' 97' ' ' GLY . 5.6 ttm -121.35 134.42 55.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 98' ' ' VAL . 49.4 t -137.15 139.46 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 47.42 40.54 11.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.403 ' C ' ' HE2' ' A' ' 94' ' ' MET . . . 65.34 25.27 71.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 95' ' ' VAL . 2.1 t -129.35 131.03 67.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.576 HE22 ' NH1' ' A' ' 29' ' ' ARG . 63.7 mt-30 -87.64 118.7 27.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -110.25 103.16 11.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.525 ' CD1' ' HD2' ' A' ' 12' ' ' PRO . 2.9 tt -99.93 120.74 40.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.581 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.5 mt -96.99 121.7 39.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.402 ' CD2' ' HB2' ' A' ' 79' ' ' TYR . 20.6 mt -111.53 131.97 54.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -123.13 125.66 45.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.244 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.593 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 20.7 tp -101.37 123.35 45.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.504 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -74.96 172.65 15.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HB3' ' CG ' ' A' ' 25' ' ' ASP . 18.3 Cg_endo -75.01 95.51 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -44.47 -26.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.768 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -152.63 146.91 25.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.603 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.507 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 66.4 mt -129.03 145.74 51.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.768 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.3 m0 -130.42 110.07 11.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 108.014 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.632 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 10.5 p -71.85 117.7 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 18' ' ' HIS . 1.8 t60 -113.01 -30.31 7.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.551 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -132.55 152.6 51.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 20' ' ' GLU . 1.1 pp20? -51.16 110.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.259 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 76.59 24.32 67.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mp -131.23 148.13 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.632 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.4 m-85 -143.83 152.07 40.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -107.62 132.41 53.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.404 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 23.4 t0 -85.69 179.73 7.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -88.74 23.21 2.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.545 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 12.4 m-85 -151.93 45.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.612 ' CG ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER 49.21 36.75 9.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.86 108.17 17.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 p -74.1 145.7 44.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.419 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' TYR . 51.9 m95 -124.89 158.33 33.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.552 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.1 t -120.54 101.29 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.481 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . . . -86.82 104.59 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.339 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.456 HG12 ' NH2' ' A' ' 45' ' ' ARG . 71.5 t -91.97 76.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.483 ' CG2' ' OE1' ' A' ' 66' ' ' GLN . 7.5 p -46.71 105.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.459 ' CE1' ' CD1' ' A' ' 106' ' ' LEU . 2.3 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.555 0.217 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 3.3 mm? -122.84 109.33 14.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.506 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -117.89 123.56 46.15 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -115.13 92.28 3.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.456 ' NH2' HG12 ' A' ' 34' ' ' VAL . 6.7 ttm180 -68.6 109.62 3.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -95.9 113.59 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.552 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.1 tt0 -108.03 128.48 54.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.529 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -86.08 123.94 31.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.542 HD12 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -156.86 165.0 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.601 1.188 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -92.76 111.71 23.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.933 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.483 ' OE1' ' CG2' ' A' ' 35' ' ' VAL . 58.8 mt-30 -136.38 -56.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 3.1 mp -70.84 140.21 86.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -74.95 167.35 27.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.768 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.49 HD23 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.05 -20.95 60.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.543 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 8.1 ttp -159.44 143.37 14.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.488 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -107.78 159.15 16.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.429 ' CB ' ' O ' ' A' ' 80' ' ' MET . 2.5 tp60 -138.23 100.95 4.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.557 ' HA ' ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -46.43 121.41 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.593 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -120.47 172.75 4.34 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.928 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.592 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.1 Cg_endo -75.02 179.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.586 1.835 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 2.8 mm-40 66.52 16.32 10.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 63.03 54.31 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.485 ' HB3' ' CD1' ' A' ' 86' ' ' LEU . 7.8 mtm180 -148.25 160.91 42.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.321 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.557 ' CD1' ' HA ' ' A' ' 73' ' ' LEU . 2.1 m-30 -114.25 134.01 55.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.593 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -104.63 123.11 46.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.181 . . . . 0.0 111.041 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.434 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 6.3 p30 -96.09 178.01 5.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.36 2.46 42.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.256 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 84' ' ' SER . 14.0 t-20 -80.18 -2.64 45.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 85.04 39.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 69.6 mtt180 -148.5 158.99 44.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.492 ' CD2' ' HB2' ' A' ' 80' ' ' MET . 0.9 OUTLIER -119.55 119.32 33.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.653 ' CD2' ' HB2' ' A' ' 105' ' ' LEU . 9.0 m95 -92.39 139.31 30.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 108.071 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.0 tt0 -95.75 127.61 41.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.544 HD12 ' CD1' ' A' ' 79' ' ' TYR . 6.2 mm -68.42 93.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.437 ' CG ' ' HE3' ' A' ' 104' ' ' LYS . 3.9 mm100 -55.39 -45.7 76.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.607 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -172.12 146.96 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.575 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.572 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 24.7 t-80 -144.0 110.36 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.608 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.95 -172.99 4.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.0 ttm -116.34 126.47 53.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.5 t -127.26 133.52 67.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 49.57 37.7 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 69.81 17.89 73.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.42 ' CG2' HG22 ' A' ' 49' ' ' ILE . 2.1 t -124.55 130.68 73.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.425 0.721 . . . . 0.0 109.323 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -80.18 114.66 19.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 36.2 tt0 -106.88 106.37 16.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.622 1.201 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 92' ' ' HIS . 2.4 tt -102.08 125.58 48.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.601 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 2.9 mt -102.01 127.33 48.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.508 HD21 ' CD2' ' A' ' 79' ' ' TYR . 13.4 mt -117.72 131.43 56.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.3 tppp? -120.71 129.99 53.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.653 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 42.2 tp -110.08 122.41 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.459 ' CD1' ' CE1' ' A' ' 41' ' ' PHE . 3.9 mm? . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.584 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.99 173.26 14.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.963 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.473 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.5 Cg_endo -74.91 93.68 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.079 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.44 -27.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.805 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -152.02 145.89 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.596 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 54.9 mt -127.34 146.38 50.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.805 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.5 m0 -130.55 111.17 12.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.625 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.6 p -70.86 121.8 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.448 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.6 t60 -115.79 -32.54 5.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.598 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.3 158.94 42.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.47 109.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 76.51 22.07 73.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.587 1.179 . . . . 0.0 111.025 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.5 mp -127.91 143.2 41.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.625 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.3 m-85 -140.71 153.63 46.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -108.48 133.72 52.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.44 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 23.1 t0 -87.49 -178.91 6.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -90.85 19.74 5.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.538 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 4.9 m-85 -147.01 44.0 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.538 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 7.5 pt20 48.41 43.82 19.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HB2' ' HB3' ' A' ' 25' ' ' ASP . 58.6 mtt180 -121.21 109.2 14.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 p -73.52 143.84 46.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 50.6 m95 -122.5 157.99 30.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.001 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.52 ' CG2' HD13 ' A' ' 49' ' ' ILE . 2.1 t -119.74 98.37 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -86.72 111.56 20.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.0 t -103.41 102.1 13.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.405 ' HB ' HD13 ' A' ' 67' ' ' LEU . 14.9 p -65.3 123.35 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.419 ' HB3' ' HD3' ' A' ' 104' ' ' LYS . 27.4 m-85 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.527 0.203 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -115.6 125.66 53.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.225 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.454 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 12.1 ttp180 -138.57 139.65 38.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 103' ' ' LEU . . . -129.17 107.95 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.437 ' HG3' ' CD2' ' A' ' 102' ' ' LEU . 2.0 ttm180 -78.11 107.21 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -91.75 110.96 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.516 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.2 tt0 -107.32 127.53 53.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.465 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 1.2 tm0? -86.3 120.85 28.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.52 HD13 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -154.64 166.12 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.408 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 1.0 OUTLIER -95.38 87.13 4.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.3 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.435 ' O ' ' OG ' ' A' ' 65' ' ' SER . 5.9 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -139.62 -52.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.457 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 4.1 mp -68.1 141.1 93.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.238 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.638 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -75.01 175.48 11.18 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.44 1.758 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.538 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -83.98 -14.13 51.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.228 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.596 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -166.44 139.2 3.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.463 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.9 m0 -106.27 154.09 21.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 107.968 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -135.97 94.94 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 79' ' ' TYR . 3.6 tp -41.75 126.61 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.581 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -124.48 -178.36 0.67 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.579 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.03 170.84 19.53 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.525 1.803 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 2.8 mm-40 72.93 12.45 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 65.29 47.94 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -137.75 161.67 35.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.58 ' CD1' HD13 ' A' ' 89' ' ' ILE . 2.5 m-30 -114.21 125.26 53.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.581 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 1.2 ttt -98.0 121.08 39.49 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.383 1.052 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.449 ' OD2' ' N ' ' A' ' 83' ' ' ASN . 5.7 p30 -92.37 178.63 5.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.361 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -100.58 3.04 42.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 84' ' ' SER . 26.6 t30 -80.18 -3.34 48.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 87.14 38.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.97 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.453 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 27.0 mtt180 -148.23 161.01 42.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.423 HD21 ' N ' ' A' ' 87' ' ' TRP . 1.3 tt -122.48 117.97 27.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.638 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 7.4 m95 -90.43 138.92 31.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 108.056 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.3 tt0 -97.44 122.86 40.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.58 HD13 ' CD1' ' A' ' 79' ' ' TYR . 6.0 mm -60.73 89.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -48.93 -45.91 42.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.613 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -172.7 138.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.546 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.584 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 21.7 t-80 -135.38 115.88 13.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.577 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.567 HD21 ' CD2' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -156.89 -171.66 3.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 2.7 ttm -118.87 125.64 49.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.2 t -128.06 135.11 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.7 38.95 16.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.84 25.26 73.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.072 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.48 ' CG2' HG22 ' A' ' 49' ' ' ILE . 2.1 t -132.44 132.44 60.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 109.219 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.43 ' NE2' ' OE1' ' A' ' 48' ' ' GLN . 46.1 mt-30 -82.12 112.95 19.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.472 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 33.6 tt0 -105.8 107.56 18.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' VAL . 2.1 tt -101.77 121.89 42.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.587 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 3.0 mt -97.66 121.48 39.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.476 HD23 ' CD1' ' A' ' 89' ' ' ILE . 11.9 mt -110.85 128.63 55.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -119.27 129.27 54.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.625 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 43.9 tp -109.4 127.76 54.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.437 ' N ' ' CD1' ' A' ' 106' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -75.05 172.42 16.39 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.542 1.812 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.534 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 17.9 Cg_endo -75.11 93.91 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -41.84 -28.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.797 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -152.37 148.12 27.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.52 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 66.5 mt -128.89 145.09 51.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.797 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.7 m0 -130.04 109.76 11.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 108.047 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.607 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.3 p -69.43 119.56 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -114.27 -32.84 5.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.564 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -129.04 159.1 37.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 7.1 pm0 -53.42 111.4 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 73.17 27.28 68.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 23' ' ' TYR . 1.7 mp -127.8 158.77 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 0.801 . . . . 0.0 109.328 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 13.0 m-85 -154.23 148.78 26.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.54 133.56 50.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 110.283 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -85.34 178.25 7.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 8.4 tt0 -88.17 23.51 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.549 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 13.5 m-85 -153.02 45.37 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.633 ' CG ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER 50.8 35.92 13.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.272 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.82 114.04 27.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 p -76.99 148.72 36.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.597 1.186 . . . . 0.0 110.416 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.524 ' N ' ' O ' ' A' ' 23' ' ' TYR . 55.4 m95 -132.52 152.73 51.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.1 t -121.77 107.69 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.501 ' HB1' ' CD2' ' A' ' 67' ' ' LEU . . . -89.66 113.81 25.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.6 t -100.34 81.61 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 p -52.74 117.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.419 1.074 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.506 0.193 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -114.65 97.3 6.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.229 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.8 121.25 42.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.31 90.31 3.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -67.21 108.14 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.286 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.506 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 1.8 t -95.07 112.93 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.8 tt0 -110.33 129.97 55.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.471 ' C ' HG23 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -89.08 123.49 33.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.471 HG23 ' C ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -148.17 164.07 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.329 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.0 86.07 4.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.582 1.176 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.316 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.425 ' O ' ' OG ' ' A' ' 65' ' ' SER . 4.8 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -140.0 -58.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.501 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 4.0 mp -65.3 139.35 97.43 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.677 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.1 Cg_endo -74.99 167.63 26.63 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.483 HD21 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -76.92 -6.9 54.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.563 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -171.03 145.09 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.515 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.4 m0 -112.16 155.93 23.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 107.97 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 80' ' ' MET . 2.3 tp60 -136.05 101.77 4.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.539 HD12 ' CE1' ' A' ' 79' ' ' TYR . 14.3 tp -51.62 122.44 8.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.356 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.585 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -109.42 -179.34 0.66 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -74.9 169.02 23.53 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 1.1 tt0 80.63 -78.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 1.5 tt0 167.19 53.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.47 ' CB ' HD11 ' A' ' 86' ' ' LEU . 42.6 mtt180 -147.9 160.43 42.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.55 ' CD1' HD12 ' A' ' 89' ' ' ILE . 2.2 m-30 -112.72 131.08 55.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.585 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -102.27 124.82 48.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.465 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 31.6 p30 -80.36 -175.07 4.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.314 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.97 2.95 17.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.663 ' O ' ' CB ' ' A' ' 84' ' ' SER . 21.9 t30 -85.46 -49.17 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.663 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 6.6 t 142.78 42.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 34.8 mtt180 -147.91 156.65 42.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.065 . . . . 0.0 110.316 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.533 ' CD2' ' HB2' ' A' ' 80' ' ' MET . 1.1 tm? -120.02 119.84 34.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.677 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 7.9 m95 -94.07 138.47 32.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 108.054 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.2 tt0 -95.43 122.53 38.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.55 HD12 ' CD1' ' A' ' 79' ' ' TYR . 9.3 mm -63.87 93.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -45.39 67.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.678 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.99 147.18 2.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.663 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 24.1 t-80 -141.53 112.54 7.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.118 . . . . 0.0 109.651 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.452 HD22 ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -153.47 -171.25 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.421 ' HE2' ' N ' ' A' ' 98' ' ' VAL . 2.2 ttm -120.29 122.35 40.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.0 t -124.46 133.73 68.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 51.2 39.02 22.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.06 25.99 72.27 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 47' ' ' GLN . 2.2 t -132.67 131.31 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -81.0 115.17 20.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 33.6 tt0 -108.76 109.86 21.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.534 ' CD1' ' HD2' ' A' ' 12' ' ' PRO . 2.0 tt -105.51 122.1 45.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.363 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.678 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.2 mt -97.87 124.95 42.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 79' ' ' TYR . 15.6 mt -115.02 128.55 56.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' GLN . 1.5 tppp? -118.1 128.23 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.602 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 39.1 tp -106.68 120.2 41.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 106' ' ' LEU . 3.6 mm? . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.544 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.6 Cg_endo -74.96 173.78 13.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.495 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -74.97 93.93 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.548 1.815 . . . . 0.0 111.033 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -43.42 -27.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.805 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -152.35 150.13 29.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.563 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.489 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 60.2 mt -131.04 146.11 52.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.805 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -130.79 110.78 11.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 108.008 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.593 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 10.7 p -70.01 118.1 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.456 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.7 t-160 -113.88 -32.91 5.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.601 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -129.86 162.03 29.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -55.27 112.29 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 70.72 22.29 78.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 23' ' ' TYR . 1.2 mp -124.88 144.79 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.3 m-85 -139.91 152.63 46.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.985 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -108.45 133.2 52.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 29' ' ' ARG . 13.4 t0 -82.06 -177.77 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 1.195 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 11.9 pt-20 -96.69 19.57 12.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.251 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -143.77 28.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 65.35 47.12 2.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 63.6 mtt180 -125.61 115.55 20.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.335 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.2 p -76.16 147.05 38.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 110.385 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.495 ' CE2' ' HG3' ' A' ' 12' ' ' PRO . 59.2 m95 -128.74 157.08 42.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.011 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.476 ' CG2' HD12 ' A' ' 49' ' ' ILE . 2.1 t -123.43 96.79 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -82.9 99.68 9.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.39 1.056 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.2 t -86.28 81.26 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 p -47.04 101.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.457 0.17 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -124.03 102.41 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 0.1 OUTLIER -108.95 128.37 54.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.51 89.87 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -66.77 106.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 1.2 t -93.44 108.17 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' VAL . 0.9 OUTLIER -105.65 126.77 52.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.456 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 1.2 tm0? -85.95 120.19 27.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.507 HD11 ' N ' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -154.33 161.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.58 117.09 25.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.2 -62.63 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 3.9 mp -66.38 143.16 98.13 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.646 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.96 167.67 26.53 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.482 1.78 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.477 HD22 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -74.96 -19.31 60.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.605 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -161.22 140.82 10.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 1.097 . . . . 0.0 111.042 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.493 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.7 m0 -106.51 155.15 19.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 108.001 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -136.62 101.19 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.573 HD11 ' CE1' ' A' ' 79' ' ' TYR . 9.2 tp -51.93 113.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.574 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -101.25 -177.79 0.6 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.984 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.574 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.0 Cg_endo -74.98 173.36 14.64 Favored 'Trans proline' 0 C--N 1.362 1.237 0 O-C-N 124.389 1.731 . . . . 0.0 110.973 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.614 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.4 OUTLIER 81.0 -80.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.614 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 16.1 tt0 167.44 50.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.448 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -147.72 164.43 33.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.245 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.573 ' CE1' HD11 ' A' ' 73' ' ' LEU . 2.2 m-85 -112.24 123.14 49.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.568 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -97.55 117.66 32.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.478 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 24.7 p-10 -70.83 -168.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -117.56 -0.73 11.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.636 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.7 t-20 -81.84 -51.17 8.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 2.7 m 146.96 40.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.439 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 11.0 mtt180 -145.35 161.35 39.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 78' ' ' ARG . 1.2 tt -126.38 117.33 22.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.646 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 9.4 m95 -91.49 134.34 34.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 107.988 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 104' ' ' LYS . 1.9 tt0 -92.1 121.34 33.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.534 HD11 ' CD1' ' A' ' 79' ' ' TYR . 8.0 mm -63.6 91.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -46.1 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.68 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.02 142.81 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.615 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.544 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 23.6 t-80 -136.15 114.83 11.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.425 HD22 ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -152.67 -170.87 3.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.1 ttm -123.68 128.47 49.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' VAL . 24.5 t -127.8 135.69 62.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 47.46 38.49 7.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 68.55 25.85 74.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.5 ' CG2' HG21 ' A' ' 49' ' ' ILE . 2.2 t -130.61 129.89 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 0.747 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -81.44 114.23 20.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 32.7 tt0 -107.13 105.58 15.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.531 ' CD2' ' CD1' ' A' ' 89' ' ' ILE . 2.0 tt -102.09 121.4 42.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.68 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.7 mt -97.51 123.12 41.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 79' ' ' TYR . 15.0 mt -113.18 129.31 56.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.5 tppp? -117.03 126.0 52.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.557 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 34.6 tp -106.32 117.86 35.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.657 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.97 173.88 13.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.807 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.521 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.2 Cg_endo -74.99 99.85 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -45.91 -25.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.818 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -157.64 147.1 20.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.62 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 53.1 mt -125.8 146.88 49.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.818 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 16.0 m0 -130.69 111.37 12.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 107.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.593 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 9.6 p -70.6 118.61 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.444 ' CD2' ' C ' ' A' ' 18' ' ' HIS . 1.8 t60 -114.81 -33.5 5.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.553 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -130.3 155.68 45.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -50.01 111.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.38 20.37 79.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mp -124.24 138.59 53.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 13.3 m-85 -134.11 153.01 52.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.77 131.89 54.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' ARG . 17.5 t0 -79.06 178.78 7.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.518 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 15.1 tt0 -94.02 19.7 8.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -143.69 23.53 1.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.061 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.98 44.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -122.19 117.62 26.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.273 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 p -79.98 140.9 36.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.506 ' CE2' ' OE1' ' A' ' 48' ' ' GLN . 56.2 m95 -124.02 150.51 44.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.496 ' HB ' ' CD1' ' A' ' 49' ' ' ILE . 2.4 t -113.25 88.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -81.63 113.25 19.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 45' ' ' ARG . 26.9 m -112.22 106.56 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 p -59.01 116.68 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.42 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 8.7 m-85 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.543 0.211 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 42' ' ' LEU . 2.8 mm? -126.56 95.91 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -107.37 133.74 51.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.29 104.94 10.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.329 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.479 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 5.2 ttm180 -76.95 110.55 11.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.152 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -96.97 111.41 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 32' ' ' VAL . 2.8 tt0 -106.96 133.79 51.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.506 ' OE1' ' CE2' ' A' ' 31' ' ' TRP . 29.3 tp60 -87.5 125.65 34.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.344 1.027 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.496 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -152.94 170.43 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.87 99.03 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.1 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -130.88 -60.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 3.8 mp -66.06 141.01 97.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.674 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.05 171.38 18.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.46 HD12 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -76.52 -21.16 56.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.529 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 2.6 tmm? -158.52 143.97 16.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.483 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -109.22 154.36 22.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 108.037 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -135.81 96.41 3.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.587 ' HA ' ' CD1' ' A' ' 79' ' ' TYR . 1.8 tp -44.53 125.86 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.583 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -125.91 -178.99 0.8 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.561 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -74.94 176.46 9.86 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.451 1.764 . . . . 0.0 111.003 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 52.0 mm-40 66.88 17.6 10.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 59.82 50.76 6.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.441 ' CB ' HD22 ' A' ' 86' ' ' LEU . 16.7 mtt180 -141.68 158.9 43.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.603 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.3 m-30 -111.25 127.67 55.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.583 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -99.76 117.01 33.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 83' ' ' ASN . 6.6 p30 -90.73 -179.93 5.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -99.76 1.76 43.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.5 t-20 -79.14 -2.64 41.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER 84.75 35.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.088 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 84' ' ' SER . 1.1 mtt180 -142.07 162.7 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.441 HD22 ' CB ' ' A' ' 78' ' ' ARG . 0.8 OUTLIER -125.4 113.16 17.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.674 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 7.7 m95 -86.29 140.09 30.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 108.078 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.7 tt0 -97.32 122.79 40.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.603 HD11 ' CD1' ' A' ' 79' ' ' TYR . 5.8 mm -63.47 92.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.89 -44.37 66.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.643 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.07 142.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.622 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.657 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 21.3 t-80 -140.52 113.28 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.607 HD11 ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -159.25 -176.72 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 2.5 ttm -110.0 124.06 50.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.068 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.9 t -124.17 132.99 70.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.35 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 49.7 37.98 14.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.379 1.049 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 68.88 25.21 75.43 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.62 130.6 56.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -79.97 115.03 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.469 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 33.8 tt0 -109.56 107.77 17.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.521 ' CD1' ' HD2' ' A' ' 12' ' ' PRO . 2.0 tt -102.6 122.06 43.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.643 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.6 mt -98.26 125.96 43.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 79' ' ' TYR . 23.3 mt -116.58 125.8 52.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -114.98 128.22 56.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 109.225 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.646 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 32.6 tp -108.18 127.92 54.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 106' ' ' LEU . 5.1 mp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.06 173.41 14.55 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.471 1.774 . . . . 0.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.2 Cg_endo -75.02 96.56 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -43.72 -27.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.809 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -155.02 148.59 25.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 66.9 mt -128.04 147.15 50.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.809 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.8 m0 -130.7 111.02 11.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 107.985 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.625 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 7.0 p -71.17 120.11 18.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.404 1.065 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.452 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.6 t60 -114.97 -33.27 5.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.625 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.57 157.31 43.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.75 112.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 73.73 29.38 63.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.587 1.18 . . . . 0.0 111.068 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 2.0 mp -134.31 151.98 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.625 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 14.0 m-85 -148.97 150.01 32.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 16' ' ' TRP . 2.2 ttp180 -105.07 132.88 50.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' ARG . 14.0 t0 -80.16 178.98 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.553 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 11.5 tt0 -92.95 23.97 3.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -150.47 30.46 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 65.57 42.35 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.343 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -117.84 115.18 24.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.9 p -76.82 145.74 38.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.454 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' TYR . 59.6 m95 -129.22 159.13 37.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 108.009 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.508 ' CG2' HD13 ' A' ' 49' ' ' ILE . 2.1 t -126.36 101.35 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -87.83 119.96 28.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 45' ' ' ARG . 98.6 t -111.32 99.7 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.7 p -62.23 120.9 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.09 . . . . 0.0 110.329 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.507 0.194 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 42' ' ' LEU . 2.2 mm? -125.51 90.73 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 24.8 ttm180 -102.08 126.28 48.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.44 84.96 2.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.517 ' CD ' ' OE2' ' A' ' 100' ' ' GLU . 6.3 ttm180 -60.47 108.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.153 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 101' ' ' LEU . 1.4 t -96.5 115.72 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.505 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.1 tt0 -111.47 126.9 55.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.068 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.462 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 1.1 tm0? -85.5 119.4 25.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.53 HG22 ' CG2' ' A' ' 98' ' ' VAL . 0.3 OUTLIER -154.48 160.85 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.08 114.3 25.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.422 ' O ' ' OG ' ' A' ' 65' ' ' SER . 5.6 p . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -135.76 -54.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 3.8 mp -69.41 138.37 88.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.664 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.99 175.12 11.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.525 1.803 . . . . 0.0 111.053 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.474 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -81.0 -22.89 39.07 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.609 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -154.97 142.16 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.505 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -108.44 157.71 18.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' MET . 1.9 tp60 -137.68 103.47 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.507 HD12 ' CE1' ' A' ' 79' ' ' TYR . 10.4 tp -54.12 113.63 1.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.575 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.76 -178.73 0.76 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.532 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.03 173.18 14.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.437 1.756 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.6 OUTLIER 79.0 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.416 1.072 . . . . 0.0 110.311 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.567 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 43.4 tt0 171.5 48.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.487 ' HB3' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -145.49 166.51 25.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.581 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-85 -115.42 135.24 54.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.575 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -106.01 127.32 53.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 81' ' ' ASP . 36.2 p30 -93.6 -174.33 3.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.62 -3.12 18.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.525 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.1 t-20 -80.73 -3.46 50.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 1.1 t 87.79 39.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.432 ' CB ' HD11 ' A' ' 105' ' ' LEU . 29.2 mtt180 -143.34 149.26 37.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.503 ' CD2' ' HB2' ' A' ' 80' ' ' MET . 1.0 OUTLIER -114.48 120.57 40.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.664 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 8.5 m95 -95.71 135.09 37.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 104' ' ' LYS . 1.3 tt0 -91.81 125.08 36.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.581 HD11 ' CD1' ' A' ' 79' ' ' TYR . 8.6 mm -64.15 85.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 109.322 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.412 ' CG ' ' HB2' ' A' ' 104' ' ' LYS . 2.8 mm-40 -47.43 -46.98 26.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.604 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -172.96 137.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.592 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 22.4 t-80 -132.93 114.37 13.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 109.604 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.569 ' CD2' ' CD2' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -152.95 -171.22 3.86 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 5.3 ttm -127.89 133.51 49.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 98' ' ' VAL . 44.9 t -134.47 138.07 50.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.6 mmp_? 48.34 38.3 10.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.9 24.84 74.36 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.53 ' CG2' HG22 ' A' ' 49' ' ' ILE . 2.1 t -128.95 132.04 67.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -84.57 117.48 23.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.517 ' OE2' ' CD ' ' A' ' 45' ' ' ARG . 2.2 tt0 -109.06 103.21 12.18 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 46' ' ' VAL . 3.3 tt -101.33 120.87 40.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.591 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.1 mt -97.7 122.39 40.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.537 ' O ' ' HA ' ' A' ' 43' ' ' ARG . 21.9 mt -111.95 126.53 55.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 88' ' ' GLN . 1.2 tppt? -116.92 125.2 51.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.614 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 31.8 tp -103.41 112.37 25.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.41 ' H ' ' CD2' ' A' ' 106' ' ' LEU . 2.4 pt? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -74.99 172.63 15.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.568 1.825 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.524 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.2 Cg_endo -75.07 92.14 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.464 1.771 . . . . 0.0 111.034 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.488 ' HA ' ' CB ' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -43.5 -26.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.802 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -150.23 148.07 28.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.621 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.498 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 62.3 mt -130.63 147.24 52.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.802 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.2 m0 -131.8 110.23 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.018 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.576 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 9.8 p -70.32 119.09 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 18' ' ' HIS . 1.8 t60 -113.7 -27.58 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.05 159.34 42.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -54.21 111.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 110.384 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 73.5 22.85 78.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.2 mp -127.67 142.82 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.0 m-85 -137.84 155.32 49.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 111.023 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -110.32 129.85 55.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.476 ' CB ' ' HB2' ' A' ' 29' ' ' ARG . 21.4 t0 -80.74 177.09 9.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.39 21.18 4.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -144.4 28.7 1.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 63.71 46.07 4.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.476 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -125.66 114.35 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.358 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.437 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 5.4 p -74.98 142.7 43.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.426 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.524 ' CE2' ' HG3' ' A' ' 12' ' ' PRO . 49.8 m95 -122.09 153.95 37.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.541 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.1 t -116.44 100.55 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.506 ' HB1' ' CD2' ' A' ' 67' ' ' LEU . . . -86.51 103.78 15.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.3 t -93.54 84.6 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -47.46 110.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.247 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.078 . . . . 0.0 110.261 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.404 ' CB ' ' HE3' ' A' ' 104' ' ' LYS . 8.9 m-85 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.462 0.172 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.427 HD21 ' N ' ' A' ' 42' ' ' LEU . 3.9 mm? -118.96 115.62 24.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -121.09 129.14 53.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.91 93.67 4.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -69.58 107.38 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 1.4 t -95.75 111.81 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -107.72 130.25 54.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.478 ' NE2' ' CD1' ' A' ' 31' ' ' TRP . 0.3 OUTLIER -88.02 121.21 30.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.342 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.511 HD13 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -150.24 163.92 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.466 HE21 ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -96.25 93.22 6.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.336 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.6 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -125.78 -63.11 1.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 110.244 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.506 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 3.9 mp -65.23 140.66 97.95 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.675 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.5 Cg_endo -74.88 164.46 33.44 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.451 HD12 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -72.27 -17.93 61.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.524 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 1.9 tmm? -160.92 143.98 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.504 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -109.84 154.56 22.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 80' ' ' MET . 2.8 tp60 -133.86 97.02 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 79' ' ' TYR . 13.5 tp -46.86 117.85 1.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.581 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -102.59 -179.15 0.74 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.01 165.6 30.95 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 2.8 tt0 82.4 -76.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.553 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 2.2 tt0 168.43 50.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.439 ' HD2' ' CD1' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -142.05 161.13 38.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.589 ' CD1' HD13 ' A' ' 89' ' ' ILE . 2.3 m-85 -115.19 119.32 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.581 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -93.31 129.43 39.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 5.3 p30 -100.09 177.73 5.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -98.67 1.47 46.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 84' ' ' SER . 19.3 t-20 -79.87 -5.4 55.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 1.8 t 88.47 32.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 109.977 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.435 ' CB ' HD11 ' A' ' 105' ' ' LEU . 2.3 mtt180 -137.48 156.1 48.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.439 ' CD1' ' HD2' ' A' ' 78' ' ' ARG . 2.4 tm? -119.78 117.22 27.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.675 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 9.8 m95 -91.31 139.5 30.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 107.996 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.575 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.7 tt0 -99.88 120.79 40.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.589 HD13 ' CD1' ' A' ' 79' ' ' TYR . 8.8 mm -60.43 95.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.394 1.059 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -52.78 -47.45 67.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.616 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -173.55 135.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.617 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 24.5 t-80 -127.43 115.67 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.612 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -150.55 177.57 9.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.492 ' CE ' ' HG3' ' A' ' 99' ' ' GLN . 5.5 ttm -128.08 139.42 52.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 111.028 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 98' ' ' VAL . 77.1 t -145.64 141.85 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 47.5 39.09 8.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.36 26.12 72.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.482 ' CG1' ' OE1' ' A' ' 47' ' ' GLN . 2.0 t -128.81 132.77 67.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.492 ' HG3' ' CE ' ' A' ' 94' ' ' MET . 6.2 mt-30 -97.44 118.07 33.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 110.307 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -108.07 104.38 13.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.54 ' HG ' ' CD2' ' A' ' 92' ' ' HIS . 2.2 tt -100.17 120.13 39.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.616 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.5 mt -96.35 120.37 36.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.222 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 79' ' ' TYR . 14.8 mt -110.7 130.9 55.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.575 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -119.27 131.31 55.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.614 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 24.7 tp -110.19 123.58 50.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.559 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.01 173.87 13.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.519 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.1 Cg_endo -75.07 93.85 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -41.64 -30.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.742 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -150.6 148.33 28.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.594 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.498 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 59.5 mt -128.9 147.57 50.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.742 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.0 m0 -131.74 111.65 11.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 107.941 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.6 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 8.0 p -71.43 120.1 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.451 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.8 t-160 -116.2 -34.31 4.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.58 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.24 161.25 29.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.449 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 13.2 tt0 -54.94 111.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 71.96 27.96 69.54 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.449 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 2.2 mp -128.25 157.76 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.0 m-85 -154.06 148.06 25.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -104.17 131.68 51.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -80.82 178.84 8.13 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.424 1.078 . . . . 0.0 109.339 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.481 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 14.4 pt-20 -91.73 19.01 6.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.481 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 16.1 m-85 -147.18 38.31 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 57.79 44.2 20.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -120.27 113.79 20.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.2 p -77.8 143.18 38.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.519 ' CE2' ' HG3' ' A' ' 12' ' ' PRO . 58.5 m95 -126.57 157.68 38.21 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.1 t -124.83 98.46 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.19 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -84.53 111.36 19.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 69.2 t -100.31 98.52 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.47 124.12 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.475 0.179 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 66' ' ' GLN . 3.8 mm? -124.81 84.27 2.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.488 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 7.1 ttp180 -97.8 116.53 30.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -109.23 87.13 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -63.82 106.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 1.3 t -93.26 110.43 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.0 OUTLIER -108.61 127.05 53.62 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.453 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 1.3 tm0? -85.44 120.31 26.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.286 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -154.32 163.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.44 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -87.69 114.07 23.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.471 ' CG ' HD11 ' A' ' 42' ' ' LEU . 58.9 mt-30 -126.35 -60.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.469 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 3.8 mp -67.05 141.87 96.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.652 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -75.05 169.02 23.52 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.513 1.797 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -74.91 -22.4 58.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.585 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 2.3 ttt -157.75 144.01 17.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.51 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.6 m0 -109.05 155.38 20.99 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -136.7 95.68 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.557 HD12 ' CE1' ' A' ' 79' ' ' TYR . 11.6 tp -46.81 116.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.597 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -102.46 -177.74 0.58 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.05 -176.88 3.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.2 OUTLIER 70.31 -79.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.539 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 6.7 tt0 167.15 54.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.442 ' CB ' HD22 ' A' ' 86' ' ' LEU . 26.5 mtt85 -153.47 164.6 37.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.587 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-30 -111.65 125.62 54.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 111.027 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.597 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -100.77 116.1 31.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 111.032 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -87.02 -173.24 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -106.97 1.91 24.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.8 t-20 -82.53 1.21 39.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.7 OUTLIER 81.68 40.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -144.26 160.97 40.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.442 HD22 ' CB ' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -126.87 111.18 13.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.652 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 8.4 m95 -86.22 135.45 33.56 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.585 1.178 . . . . 0.0 107.918 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 104' ' ' LYS . 1.8 tt0 -93.76 118.33 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.256 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.587 HD11 ' CD1' ' A' ' 79' ' ' TYR . 9.6 mm -58.85 90.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -45.77 52.89 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.608 ' CE1' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.48 140.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.585 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 22.5 t-80 -135.77 113.93 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.576 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.477 ' CD2' ' CD2' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -153.65 -171.37 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.357 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.7 ttm -121.57 129.11 52.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' VAL . 39.7 t -132.74 138.76 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 47.41 39.85 9.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.13 26.48 71.53 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 95' ' ' VAL . 2.2 t -133.61 132.84 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -83.89 115.62 22.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 33.1 tt0 -107.53 107.31 18.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' A' ' 92' ' ' HIS . 2.0 tt -101.88 121.98 43.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.608 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 2.9 mt -97.73 122.93 41.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.488 ' O ' ' HA ' ' A' ' 43' ' ' ARG . 16.7 mt -113.9 127.54 56.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.362 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -117.05 127.27 53.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.603 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 21.6 tp -107.1 115.96 31.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.929 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.697 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.93 174.02 13.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.444 1.76 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.524 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -74.99 96.5 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.568 1.825 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -43.77 -28.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.793 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -152.89 149.49 28.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.589 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.512 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 70.1 mt -129.57 145.82 51.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.793 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.3 m0 -130.44 110.87 11.79 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.571 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 7.2 p -71.9 121.18 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.456 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.7 t-160 -118.5 -33.3 4.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 109.595 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -124.44 165.32 17.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.29 109.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.1 30.11 65.78 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.436 1.085 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 23' ' ' TYR . 1.1 mp -125.51 160.63 31.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 109.263 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.0 m-85 -155.35 142.71 19.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -99.17 132.6 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 23.6 t0 -84.54 178.62 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -89.78 24.63 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.538 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 11.4 m-85 -156.34 48.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.158 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.538 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 12.4 pt20 48.38 42.51 18.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.342 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.8 110.73 18.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.415 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 2.1 p -78.84 140.25 38.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.632 ' CH2' ' HG3' ' A' ' 99' ' ' GLN . 49.8 m95 -122.68 155.92 35.44 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.545 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.1 t -122.95 95.19 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -79.58 105.35 10.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.7 t -93.68 92.06 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.17 111.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.468 0.175 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -115.31 102.88 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 25.2 ttp85 -104.26 117.68 34.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -108.34 90.44 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.407 ' HD3' ' OE2' ' A' ' 100' ' ' GLU . 3.6 ttm180 -68.13 107.48 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 1.7 t -95.09 111.3 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.4 tt0 -114.3 130.29 56.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.436 ' NE2' ' C ' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -87.77 125.83 34.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.356 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.504 HD12 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -148.74 161.85 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.442 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.9 OUTLIER -81.16 110.25 16.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.442 ' CG1' ' O ' ' A' ' 50' ' ' GLN . 21.3 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -128.77 -65.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 4.2 mp -65.91 140.34 97.14 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.623 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.92 172.45 16.31 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.441 1.758 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.74 -22.34 46.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.563 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -156.43 141.92 17.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.505 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -108.17 158.81 17.11 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.408 ' NE2' ' HE3' ' A' ' 70' ' ' MET . 2.2 tp60 -140.7 101.69 4.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 0.0 110.25 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.433 ' HA ' ' CD1' ' A' ' 79' ' ' TYR . 3.7 tp -51.04 121.37 5.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.582 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -109.04 -177.17 0.45 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.582 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.99 -177.73 3.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.567 1.825 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 1.0 OUTLIER 70.56 -77.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 76' ' ' GLU . 6.5 pt-20 164.65 50.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -147.86 161.25 41.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.575 ' CD1' HD12 ' A' ' 89' ' ' ILE . 2.3 m-30 -107.89 125.81 51.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.573 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -100.52 115.26 29.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' A' ' 81' ' ' ASP . 33.8 p30 -82.78 -174.79 5.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -107.91 -3.06 19.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 84' ' ' SER . 36.7 t30 -80.08 -3.01 46.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 88.3 39.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.059 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -142.68 151.85 41.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.107 . . . . 0.0 110.283 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' ' 87' ' ' TRP . 1.0 OUTLIER -119.78 115.1 23.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.623 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 8.6 m95 -90.55 137.98 31.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 108.063 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 90' ' ' GLN . 4.6 tt0 -94.19 118.87 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.575 HD12 ' CD1' ' A' ' 79' ' ' TYR . 10.3 mm -57.33 89.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.4 OUTLIER -48.95 -46.96 44.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.605 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -173.18 139.65 0.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.649 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.697 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 24.8 t-80 -135.62 112.28 10.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.616 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.93 -172.44 4.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 2.3 ttm -110.44 124.16 51.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 111.041 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 98' ' ' VAL . 14.9 t -125.62 129.5 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 48.28 37.34 8.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.245 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 68.37 24.63 74.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.501 ' CG1' ' HG3' ' A' ' 47' ' ' GLN . 2.2 t -133.22 108.84 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.439 0.729 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.632 ' HG3' ' CH2' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -61.15 112.82 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 31.1 tt0 -105.83 117.61 34.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' A' ' 92' ' ' HIS . 2.0 tt -107.27 122.96 47.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.365 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.588 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 3.0 mt -99.71 122.5 42.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.482 HD12 ' CE2' ' A' ' 71' ' ' TRP . 21.4 mt -111.83 130.46 55.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.34 119.14 32.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.609 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 13.2 tp -95.57 118.89 33.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.606 1.191 . . . . 0.0 109.312 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.577 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.03 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.783 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.477 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.6 Cg_endo -74.91 94.69 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -42.82 -28.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.787 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.24 149.38 29.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.492 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 63.5 mt -130.36 147.1 52.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.787 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.0 m0 -131.55 110.61 11.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.603 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.9 p -70.17 118.64 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.287 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.4 t60 -113.89 -32.06 6.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.03 156.21 44.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -54.24 110.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 76.03 29.32 59.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.127 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mp -136.41 154.37 32.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.4 m-85 -148.05 151.52 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.81 133.81 49.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.1 -176.72 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -96.87 17.08 17.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -142.86 30.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 65.44 43.65 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' HG2' ' NE2' ' A' ' 48' ' ' GLN . 3.0 mtt-85 -119.63 115.84 24.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 12.1 p -78.04 146.19 35.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 110.334 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.534 ' N ' ' O ' ' A' ' 23' ' ' TYR . 59.2 m95 -128.94 157.47 41.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 107.996 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.49 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -122.47 96.67 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.529 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . . . -82.22 111.18 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.1 t -100.24 85.27 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.452 ' CG2' HD12 ' A' ' 67' ' ' LEU . 11.9 p -52.8 108.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.5 0.19 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.0 mt -126.38 128.53 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 11.6 ttp85 -130.3 125.7 35.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.01 88.11 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -66.81 108.2 2.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.281 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -95.54 111.15 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.459 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.1 tt0 -108.02 128.01 54.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.493 ' OE1' ' CE2' ' A' ' 31' ' ' TRP . 12.1 tp60 -86.67 121.98 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.366 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.51 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -155.49 161.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -89.22 105.86 18.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' A' ' 65' ' ' SER . 5.1 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -133.35 -56.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.529 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 3.9 mp -66.06 142.53 98.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.623 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.0 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.507 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -85.92 -4.92 59.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.711 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 3.6 ttp -173.76 139.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.459 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.8 m0 -108.36 155.55 20.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 108.057 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -137.71 98.07 3.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.467 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 11.8 tp -49.36 112.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.74 -177.45 0.61 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.91 169.56 22.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER 82.92 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.6 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 1.1 tt0 164.48 56.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -152.67 165.67 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.573 ' CD1' HD13 ' A' ' 89' ' ' ILE . 2.3 m-30 -114.56 126.64 55.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.559 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 1.3 ttt -99.56 121.73 41.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.486 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 26.2 p-10 -74.66 -168.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -117.11 -1.04 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.633 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.0 t-20 -81.39 -50.95 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 3.5 t 146.91 41.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.48 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 7.5 mtm-85 -148.08 160.17 43.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 87' ' ' TRP . 1.5 tt -124.14 118.63 27.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.372 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.636 ' CD2' ' HB2' ' A' ' 105' ' ' LEU . 8.2 m95 -91.18 137.9 32.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 108.052 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.8 tt0 -95.12 125.88 40.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.573 HD13 ' CD1' ' A' ' 79' ' ' TYR . 5.6 mm -65.05 92.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -45.6 70.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.6 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -171.99 141.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.657 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 22.6 t-80 -137.72 114.13 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.4 -170.76 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.2 ttm -130.12 130.48 44.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.5 t -135.28 140.3 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 47.53 39.78 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.32 26.11 71.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.459 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.2 t -129.94 133.82 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -91.18 114.68 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.445 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 31.2 tt0 -105.69 106.56 17.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.501 ' HG ' ' CD2' ' A' ' 92' ' ' HIS . 2.0 tt -102.14 122.41 44.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.6 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 2.9 mt -98.74 124.46 43.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.503 HD23 ' CD1' ' A' ' 89' ' ' ILE . 10.0 mt -113.75 130.63 56.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.0 tppt? -119.72 124.68 46.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.636 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 47.2 tp -102.53 136.1 42.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 3' ' ' MET . 44.5 t -121.72 -41.25 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.985 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.465 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 78.43 82.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.943 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 162.22 10.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.66 -132.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 7' ' ' ASP . 2.1 tp10 -159.2 138.53 11.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.274 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.424 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 26.5 m-20 -87.88 167.48 13.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 t -42.32 162.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.33 -66.25 1.62 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.32 141.27 8.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.577 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.03 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.783 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.6 Cg_endo -74.91 94.69 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -42.82 -28.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.787 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.24 149.38 29.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.492 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 63.5 mt -130.36 147.1 52.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.787 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.0 m0 -131.55 110.61 11.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.603 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.9 p -70.17 118.64 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.287 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.498 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 1.4 t60 -113.89 -32.06 6.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.03 156.21 44.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -54.24 110.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 76.03 29.32 59.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.127 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mp -136.41 154.37 32.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.4 m-85 -148.05 151.52 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.81 133.81 49.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.1 -176.72 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -96.87 17.08 17.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -142.86 30.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 65.44 43.65 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' HG2' ' NE2' ' A' ' 48' ' ' GLN . 3.0 mtt-85 -119.63 115.84 24.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 12.1 p -78.04 146.19 35.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 110.334 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.534 ' N ' ' O ' ' A' ' 23' ' ' TYR . 59.2 m95 -128.94 157.47 41.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 107.996 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.49 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -122.47 96.67 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.529 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . . . -82.22 111.18 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.1 t -100.24 85.27 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.452 ' CG2' HD12 ' A' ' 67' ' ' LEU . 11.9 p -52.8 108.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -116.38 88.98 3.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -48.02 120.54 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -80.3 162.7 24.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.245 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.6 m -49.45 -36.16 21.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.358 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.78 39.49 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.187 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -163.86 -172.49 2.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.0 mt -126.38 128.53 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 11.6 ttp85 -130.3 125.7 35.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.01 88.11 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -66.81 108.2 2.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.281 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -95.54 111.15 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.459 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.1 tt0 -108.02 128.01 54.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.493 ' OE1' ' CE2' ' A' ' 31' ' ' TRP . 12.1 tp60 -86.67 121.98 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.366 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.51 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -155.49 161.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -89.22 105.86 18.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.4 m -143.59 142.21 20.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 131.01 13.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mt -75.86 113.29 13.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.94 -108.24 0.18 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.498 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 0.6 OUTLIER -65.53 -175.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.259 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -160.01 64.45 0.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.06 -141.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.528 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 2.8 mtt180 -136.62 58.14 18.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -74.92 -42.69 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.783 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 64' ' ' THR . 9.9 p -65.17 -40.89 94.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.472 ' O ' ' CB ' ' A' ' 65' ' ' SER . 11.1 m170 -70.91 -30.59 66.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 tt -80.85 -38.59 27.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.86 -69.43 0.6 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' SER . 1.0 OUTLIER -72.67 -59.46 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.407 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 5.1 p 65.07 52.96 1.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -133.35 -56.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.529 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 3.9 mp -66.06 142.53 98.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.623 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.0 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.507 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -85.92 -4.92 59.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.711 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 3.6 ttp -173.76 139.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.459 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.8 m0 -108.36 155.55 20.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 108.057 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -137.71 98.07 3.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.467 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 11.8 tp -49.36 112.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.74 -177.45 0.61 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.91 169.56 22.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER 82.92 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.6 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 1.1 tt0 164.48 56.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -152.67 165.67 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.573 ' CD1' HD13 ' A' ' 89' ' ' ILE . 2.3 m-30 -114.56 126.64 55.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.559 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 1.3 ttt -99.56 121.73 41.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.486 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 26.2 p-10 -74.66 -168.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -117.11 -1.04 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.633 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.0 t-20 -81.39 -50.95 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 3.5 t 146.91 41.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.48 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 7.5 mtm-85 -148.08 160.17 43.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 87' ' ' TRP . 1.5 tt -124.14 118.63 27.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.372 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.636 ' CD2' ' HB2' ' A' ' 105' ' ' LEU . 8.2 m95 -91.18 137.9 32.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 108.052 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.8 tt0 -95.12 125.88 40.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.573 HD13 ' CD1' ' A' ' 79' ' ' TYR . 5.6 mm -65.05 92.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -45.6 70.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.6 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -171.99 141.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.657 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 22.6 t-80 -137.72 114.13 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.4 -170.76 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.2 ttm -130.12 130.48 44.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.5 t -135.28 140.3 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 47.53 39.78 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.32 26.11 71.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.459 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.2 t -129.94 133.82 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -91.18 114.68 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.445 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 31.2 tt0 -105.69 106.56 17.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.501 ' HG ' ' CD2' ' A' ' 92' ' ' HIS . 2.0 tt -102.14 122.41 44.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.6 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 2.9 mt -98.74 124.46 43.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.503 HD23 ' CD1' ' A' ' 89' ' ' ILE . 10.0 mt -113.75 130.63 56.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.0 tppt? -119.72 124.68 46.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.636 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 47.2 tp -102.53 136.1 42.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.14 160.18 61.09 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 108' ' ' ASP . 18.4 Cg_endo -74.94 73.72 4.2 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 107' ' ' PRO . 21.9 t0 40.12 90.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.0 OUTLIER -38.89 119.52 0.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 109' ' ' ASP . 1.7 mtt-85 -35.11 129.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.1 131.1 59.64 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 141.46 26.54 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -131.87 136.47 8.79 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.2 tt -61.03 99.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 0.79 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -88.62 113.04 23.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.614 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.88 99.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.242 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 p -138.49 -63.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 0.728 . . . . 0.0 110.05 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.3 ttm 71.27 78.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.61 154.49 39.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.61 -134.46 3.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -157.9 138.77 13.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 0.801 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -148.72 155.28 40.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 t -54.46 175.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.33 -60.96 0.19 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.2 129.62 7.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.774 . . . . 0.0 109.242 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.543 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.04 174.54 12.61 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.512 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -74.99 89.76 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.495 1.787 . . . . 0.0 110.942 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.414 ' HA ' ' CB ' ' A' ' 73' ' ' LEU . 35.2 t70 -41.87 -29.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.727 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -147.98 149.61 32.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.558 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.6 mt -130.99 148.11 52.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.727 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -132.72 115.14 14.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.6 1.188 . . . . 0.0 108.023 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.584 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 8.2 p -74.13 121.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.343 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.477 ' CE1' ' HB3' ' A' ' 56' ' ' ALA . 1.8 t-160 -117.02 -36.29 3.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 109.618 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -128.48 161.5 29.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 23.3 mt-10 -50.7 113.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 66.06 21.88 70.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.2 mp -119.63 140.41 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.318 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.3 m-85 -136.3 152.26 50.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -110.16 132.77 53.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.377 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 26' ' ' GLU . 12.7 t0 -80.55 -176.88 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.491 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 6.1 pt-20 -95.84 19.14 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.258 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -146.43 31.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.396 1.06 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 65.84 41.7 3.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.45 116.05 26.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.473 ' N ' HE22 ' A' ' 48' ' ' GLN . 13.6 p -79.4 145.33 33.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.512 ' CE2' ' HG3' ' A' ' 12' ' ' PRO . 62.5 m95 -130.67 145.18 51.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 108.017 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.598 ' CG2' HD13 ' A' ' 49' ' ' ILE . 24.4 t -112.67 91.28 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -73.97 105.25 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.8 t -91.16 76.49 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 p -44.49 111.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.72 93.36 3.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.16 118.75 5.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.55 162.67 29.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.3 m -47.72 -34.61 8.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 110.468 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.83 37.38 0.41 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.021 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.459 ' CE1' HD11 ' A' ' 106' ' ' LEU . 10.5 m-85 -162.04 -176.62 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mp -114.14 141.87 46.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.458 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 8.6 ttp180 -151.62 117.07 5.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.84 95.77 5.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.42 ' HD3' ' OE2' ' A' ' 100' ' ' GLU . 2.6 ttm180 -70.14 106.17 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -93.54 104.16 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.489 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -105.04 133.1 50.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.347 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.473 HE22 ' N ' ' A' ' 30' ' ' THR . 24.3 tp60 -87.97 122.88 32.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.598 HD13 ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -147.47 165.16 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.91 77.9 7.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.2 m -115.73 131.34 23.73 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 169.87 21.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.771 . . . . 0.0 111.067 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 mp -133.95 146.64 50.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.23 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.412 ' O ' ' CG ' ' A' ' 55' ' ' ASP . . . -161.1 29.56 0.31 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.441 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.5 OUTLIER -168.95 103.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 0.726 . . . . 0.0 109.333 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.477 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . . . -106.64 37.02 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.9 -153.5 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.545 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -137.22 56.36 12.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.545 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.0 Cg_endo -75.15 -72.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.412 1.743 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.406 ' HA ' ' CB ' ' A' ' 63' ' ' LEU . 34.5 t -68.53 -19.83 64.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.432 ' CE1' HG13 ' A' ' 17' ' ' VAL . 7.1 m170 -57.61 -42.09 82.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.654 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.92 -21.98 17.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.367 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -68.7 -63.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 109.269 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.426 ' O ' ' OG ' ' A' ' 65' ' ' SER . 3.5 m -64.48 -62.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 64' ' ' THR . 10.4 p 69.0 39.89 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.97 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -129.19 -62.58 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.482 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 3.4 mp -69.23 142.08 92.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.689 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.5 Cg_endo -74.95 166.39 29.33 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.811 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.63 -20.63 60.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.593 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 2.9 ttp -159.3 141.03 13.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.488 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -106.54 158.14 17.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 107.974 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -139.6 101.84 4.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.091 . . . . 0.0 110.26 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.459 HD13 ' CE1' ' A' ' 79' ' ' TYR . 4.3 tp -48.37 122.34 5.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.588 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -122.79 174.76 3.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.577 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.03 166.45 29.14 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER 80.87 12.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 63.35 53.33 2.2 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.42 ' CB ' HD21 ' A' ' 86' ' ' LEU . 21.9 mtp180 -148.79 155.81 41.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CD1' HD12 ' A' ' 89' ' ' ILE . 2.4 m-30 -106.32 126.22 51.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.588 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -99.24 117.59 34.04 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.515 1.134 . . . . 0.0 111.042 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.439 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 30.1 p30 -85.52 -172.11 3.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -110.94 -1.84 16.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 84' ' ' SER . 22.3 t30 -80.04 -4.16 51.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.8 OUTLIER 90.2 36.42 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.419 ' CB ' HD12 ' A' ' 105' ' ' LEU . 1.2 mtt85 -144.61 147.9 33.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.369 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 87' ' ' TRP . 1.6 tt -114.98 119.9 38.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.689 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 7.6 m95 -91.41 142.53 27.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' LYS . 4.5 tt0 -97.36 124.36 41.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.558 HD12 ' CD1' ' A' ' 79' ' ' TYR . 20.6 mm -62.74 87.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -48.58 -47.05 39.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.595 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -172.72 144.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.641 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.584 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 26.2 t-80 -139.94 110.92 6.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.596 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -143.18 -169.51 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.436 ' HE3' ' NE2' ' A' ' 99' ' ' GLN . 4.3 ttm -135.99 132.27 36.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 98' ' ' VAL . 60.2 t -139.35 138.42 40.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 48.38 40.62 15.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.263 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.73 16.64 63.85 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.552 1.157 . . . . 0.0 111.038 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.415 HG11 ' OE1' ' A' ' 47' ' ' GLN . 2.1 t -117.64 134.74 60.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.406 0.709 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.436 ' NE2' ' HE3' ' A' ' 94' ' ' MET . 3.6 mt-30 -96.94 119.11 34.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.261 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.461 ' HB2' ' OE1' ' A' ' 47' ' ' GLN . 29.5 tt0 -109.74 105.18 14.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 110.372 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.584 ' HG ' ' CD2' ' A' ' 92' ' ' HIS . 2.0 tt -101.46 123.79 46.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.593 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 3.0 mt -98.08 125.54 43.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.522 HD22 ' CG ' ' A' ' 79' ' ' TYR . 19.8 mt -117.37 124.33 48.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -113.04 128.17 56.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.629 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 37.8 tp -107.24 120.11 41.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.459 HD11 ' CE1' ' A' ' 41' ' ' PHE . 3.0 mm? -94.15 147.2 32.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.95 14.86 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.56 80.81 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.74 152.18 48.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.12 152.56 51.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.68 130.14 0.15 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 76.69 3.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -79.32 -127.45 0.57 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.5 mm -134.58 149.67 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.471 ' CD2' ' HB2' ' A' ' 116' ' ' ARG . 4.2 t60 -136.85 144.74 43.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 109.569 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.471 ' HB2' ' CD2' ' A' ' 115' ' ' HIS . 0.0 OUTLIER 68.69 141.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 m -158.33 102.25 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 0.0 109.966 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.16 131.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 6' ' ' GLU . . . -159.81 110.64 1.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.65 -65.75 0.29 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' ALA . 4.7 tp10 64.66 146.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 110.34 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -142.75 153.25 43.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.441 HG13 ' NE2' ' A' ' 99' ' ' GLN . 17.3 t -77.1 171.88 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.09 -57.93 0.51 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.52 133.86 4.81 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.06 173.9 13.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.508 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.5 Cg_endo -74.94 93.84 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -44.92 -26.49 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.796 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.88 148.03 27.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.58 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 68.6 mt -129.96 145.74 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.361 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.796 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -131.01 111.84 12.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.598 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 9.4 p -71.68 119.16 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.466 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 2.0 t60 -113.54 -29.44 7.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.604 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -135.65 158.93 43.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.49 ' CB ' ' HB2' ' A' ' 60' ' ' SER . 6.1 tt0 -52.4 111.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.59 21.57 79.48 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 1.1 mp -125.11 140.28 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.583 0.814 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.598 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.1 m-85 -137.25 153.0 50.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.946 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -109.16 132.2 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -80.94 -177.39 6.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 7.6 pt-20 -95.62 24.96 4.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.262 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -150.72 26.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 70.09 41.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.28 115.09 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.435 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 1.6 p -82.22 134.05 35.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 0.0 110.393 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.508 ' CE2' ' HG3' ' A' ' 12' ' ' PRO . 49.2 m95 -115.55 154.47 29.32 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.3 t -116.82 93.86 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -79.1 110.77 14.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.406 HG12 ' NH2' ' A' ' 45' ' ' ARG . 73.2 t -99.7 81.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.1 p -47.11 109.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -116.02 93.53 4.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.81 99.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' CB ' ' HB2' ' A' ' 41' ' ' PHE . 5.8 mm-40 -57.17 161.81 2.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.8 m -47.96 -33.52 7.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -155.62 38.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.405 ' HB2' ' CB ' ' A' ' 38' ' ' GLU . 12.0 m-85 -158.9 -178.23 7.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -121.92 97.89 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 19.3 ttp180 -104.76 125.08 50.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.63 92.54 3.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.406 ' NH2' HG12 ' A' ' 34' ' ' VAL . 5.0 ttm180 -67.99 109.34 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 1.5 t -98.16 111.95 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.379 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 32' ' ' VAL . 2.4 tt0 -108.26 130.38 55.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 30' ' ' THR . 6.3 tp-100 -87.11 124.79 33.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.484 HD13 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -153.05 161.44 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -93.18 94.0 8.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 33.4 m -136.02 138.41 27.53 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.1 Cg_endo -75.11 123.0 7.5 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.425 1.75 . . . . 0.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.459 ' HB3' ' CD2' ' A' ' 18' ' ' HIS . 2.6 mp -62.94 107.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.76 -118.74 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.466 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 56.5 m-20 -63.03 -172.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 0.716 . . . . 0.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.97 59.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.66 -153.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.518 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 1.4 mtt85 -138.4 57.98 13.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.518 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.2 Cg_endo -74.97 -50.62 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.49 ' HB2' ' CB ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -66.56 -36.16 81.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.61 1.194 . . . . 0.0 110.0 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 0.5 OUTLIER -64.53 -37.28 87.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.628 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -83.99 -36.59 23.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 59' ' ' PRO . 5.2 tt -74.41 -69.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 60' ' ' SER . 21.9 m -70.08 -68.73 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p 72.4 40.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -117.43 -60.28 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.243 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 3.8 mp -66.01 141.49 97.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.643 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -74.94 171.33 18.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.073 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.485 HD11 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -77.39 -17.6 58.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.494 ' HG2' ' N ' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -162.01 145.74 12.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.494 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.6 m0 -111.53 154.44 24.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' MET . 3.2 tp60 -134.12 96.19 3.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 79' ' ' TYR . 12.2 tp -47.88 116.21 1.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.574 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -99.96 -179.16 0.78 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.6 Cg_endo -74.92 171.86 17.46 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 1.8 tm-20 77.51 -76.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 76' ' ' GLU . 9.4 pt-20 167.72 56.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.48 ' CB ' HD12 ' A' ' 86' ' ' LEU . 2.2 mtt180 -149.61 163.56 37.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.576 1.172 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.571 ' CE1' HD12 ' A' ' 73' ' ' LEU . 2.3 m-85 -117.2 120.57 38.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.574 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -95.9 124.29 39.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.444 ' HB3' ' HG3' ' A' ' 68' ' ' PRO . 2.3 p30 -92.91 176.9 6.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.374 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -100.26 -1.55 36.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 84' ' ' SER . 10.1 t-20 -78.34 -1.59 34.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.5 OUTLIER 85.62 41.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.054 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.446 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 42.0 mtt-85 -145.55 156.91 44.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.48 HD12 ' CB ' ' A' ' 78' ' ' ARG . 2.0 tm? -121.49 116.62 25.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.643 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 8.1 m95 -94.84 140.91 29.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 107.954 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.7 tt0 -101.27 124.61 47.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.571 HD11 ' CD1' ' A' ' 79' ' ' TYR . 16.4 mm -62.59 94.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -51.65 -48.61 63.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.232 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.649 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -174.01 130.5 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.633 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 26.1 t-80 -121.36 112.06 18.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.583 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.599 HD21 ' CD2' ' A' ' 91' ' ' HIS . 0.5 OUTLIER -145.13 177.21 8.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.414 ' CE ' ' HG3' ' A' ' 99' ' ' GLN . 3.2 ttm -125.35 130.32 51.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.6 t -134.46 140.3 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 48.05 38.43 9.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.11 23.9 73.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.584 1.177 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 95' ' ' VAL . 2.1 t -126.45 129.66 71.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.441 ' NE2' HG13 ' A' ' 8' ' ' VAL . 38.1 mt-30 -89.53 116.06 27.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.422 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 27.1 tt0 -106.93 103.68 13.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.561 ' CD2' ' CD1' ' A' ' 89' ' ' ILE . 2.2 tt -99.26 121.06 40.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.649 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.6 mt -97.41 120.19 37.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 79' ' ' TYR . 17.0 mt -109.97 131.26 55.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.082 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.2 OUTLIER -120.76 130.17 53.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.571 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 20.8 tp -107.65 121.89 45.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.5 mp -96.16 146.58 31.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.16 6.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.2 89.0 1.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.2 t70 59.77 96.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 109' ' ' ASP . 4.9 mtp180 -35.58 131.38 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.215 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.4 p -111.61 99.02 43.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 139.36 24.31 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.69 123.69 1.84 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.568 1.168 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.7 mp -130.92 152.79 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 109.36 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -176.25 119.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.597 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -149.15 137.08 20.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.1 t0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.77 -58.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 110.07 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.49 76.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.86 150.62 48.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 54.15 100.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.432 1.082 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -166.85 129.28 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.339 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.417 ' HA ' ' HB3' ' A' ' 94' ' ' MET . 5.2 m-20 -69.41 154.52 41.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.537 HG23 ' CB ' ' A' ' 99' ' ' GLN . 36.5 t -43.59 161.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.82 21.95 0.7 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.47 87.89 1.81 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.573 0.808 . . . . 0.0 109.323 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.654 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.91 173.56 14.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.422 1.749 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.527 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.2 Cg_endo -74.96 95.22 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.544 1.813 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -42.57 -28.11 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.793 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -153.2 146.58 24.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.654 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 58.6 mt -127.52 145.34 50.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.793 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.1 m0 -130.08 112.34 13.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 108.042 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.607 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.9 p -72.14 118.5 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.461 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.7 t-160 -115.43 -32.9 5.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.637 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.464 ' HB2' ' CG2' ' A' ' 22' ' ' ILE . 1.8 mt-30 -128.72 159.76 34.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.225 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.517 ' CG ' ' HB3' ' A' ' 60' ' ' SER . 0.9 OUTLIER -53.52 109.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 73.26 17.36 78.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 19' ' ' GLN . 1.0 OUTLIER -119.99 140.53 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.406 0.709 . . . . 0.0 109.266 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.9 m-85 -135.84 153.72 51.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -108.7 134.45 51.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.429 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 24.5 t0 -87.29 -179.03 6.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -91.68 20.71 5.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.546 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 6.4 m-85 -148.59 45.15 1.03 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 7.4 pt20 48.14 45.79 19.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HB2' ' HB3' ' A' ' 25' ' ' ASP . 0.3 OUTLIER -124.51 113.63 18.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.7 p -74.18 151.15 40.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.527 ' CE2' ' HG3' ' A' ' 12' ' ' PRO . 51.4 m95 -132.13 144.93 51.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 108.008 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.459 ' HB ' ' CD1' ' A' ' 49' ' ' ILE . 2.3 t -109.29 93.51 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.357 1.036 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -81.91 92.54 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.1 t -82.34 92.29 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 p -53.72 109.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.13 88.0 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.234 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.28 122.12 6.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.32 164.02 26.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 m -49.05 -37.88 22.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.414 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -150.77 37.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.044 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -161.0 -171.19 2.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.429 HD11 ' N ' ' A' ' 42' ' ' LEU . 3.5 mp -118.63 141.86 48.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 44' ' ' ALA . 12.5 ttp180 -151.55 147.45 26.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.433 ' N ' ' HG3' ' A' ' 43' ' ' ARG . . . -139.81 103.52 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -74.26 107.19 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -92.93 109.33 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' HG3' ' CG1' ' A' ' 98' ' ' VAL . 1.2 tt0 -111.93 130.25 55.9 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.474 ' OE1' ' NE2' ' A' ' 99' ' ' GLN . 0.8 OUTLIER -87.3 121.32 29.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.459 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -146.66 163.22 8.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -86.09 101.37 12.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 52' ' ' PRO . 8.2 p -143.27 140.61 17.92 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -75.04 169.85 21.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.69 159.63 37.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.14 -69.93 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 1.4 m-20 -65.14 114.99 5.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 109.332 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 18' ' ' HIS . . . -118.38 41.93 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.55 -148.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -132.52 65.01 73.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.435 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.96 -88.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.461 1.769 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.517 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.2 p -48.2 -25.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.572 ' CE1' HD21 ' A' ' 69' ' ' LEU . 6.5 m170 -63.56 -46.54 85.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.604 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.69 -20.88 21.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.593 1.183 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -83.22 -67.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 60' ' ' SER . 2.9 m -76.04 -54.71 6.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.3 p 58.43 39.96 24.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -120.2 -55.44 2.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 3.0 mp -71.72 145.3 89.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.649 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -74.92 172.21 16.79 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.449 1.762 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -80.06 -10.4 59.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.557 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 3.6 tmm? -170.32 143.35 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.475 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.7 m0 -109.55 155.38 21.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 107.994 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -137.03 106.36 6.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.392 1.057 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 74' ' ' TYR . 1.9 tp -55.41 112.8 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.368 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.605 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -101.68 -176.91 0.5 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.01 -175.53 2.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 5.9 mm-40 68.16 -77.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.591 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 2.5 tt0 163.2 60.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.2 mtm-85 -157.11 161.76 39.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.553 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.3 m-30 -107.58 121.5 44.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.605 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -96.92 115.95 28.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.488 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 17.7 p-10 -80.71 -170.3 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.92 -5.89 13.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.56 ' O ' ' CB ' ' A' ' 84' ' ' SER . 6.1 t-20 -79.12 -3.58 46.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.442 1.089 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.9 OUTLIER 90.24 37.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.069 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -136.22 155.57 49.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.232 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.425 HD21 ' N ' ' A' ' 87' ' ' TRP . 0.5 OUTLIER -124.57 115.45 20.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.649 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 7.9 m95 -94.05 134.44 36.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 108.029 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.4 tt0 -93.57 117.15 29.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.553 HD11 ' CD1' ' A' ' 79' ' ' TYR . 20.3 mm -54.27 90.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -50.19 -46.35 54.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.628 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.59 139.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.565 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.654 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 25.3 t-80 -135.79 112.2 9.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.568 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.51 -174.14 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.48 ' CA ' HG22 ' A' ' 8' ' ' VAL . 0.9 OUTLIER -106.02 125.68 51.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 98' ' ' VAL . 5.0 t -122.47 124.28 70.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 49.04 34.78 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 75.36 21.01 78.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.565 1.166 . . . . 0.0 110.952 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.45 ' CG1' ' HG3' ' A' ' 47' ' ' GLN . 2.1 t -126.01 128.01 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.537 ' CB ' HG23 ' A' ' 8' ' ' VAL . 3.0 mp0 -73.34 107.52 5.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.252 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.458 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 33.6 tt0 -103.96 108.93 20.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.581 ' HG ' ' CD2' ' A' ' 92' ' ' HIS . 2.0 tt -105.2 122.09 45.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.628 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.6 mt -98.98 120.3 39.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.541 HD22 ' CG ' ' A' ' 79' ' ' TYR . 14.3 mt -108.7 129.02 55.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 88' ' ' GLN . 1.1 tmmm? -117.34 123.67 47.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.562 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 22.2 tp -101.13 126.44 47.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.15 155.21 36.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.245 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.09 5.91 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.11 89.68 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.41 1.069 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 110' ' ' ARG . 18.4 t70 177.96 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 109' ' ' ASP . 0.5 OUTLIER 56.57 161.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 m -102.47 107.18 52.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 162.1 37.7 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.426 1.751 . . . . 0.0 111.005 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -136.53 -111.53 1.1 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 tp -77.84 76.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -91.15 112.19 23.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.637 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.74 138.72 28.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.04 -58.24 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.955 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.78 135.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.16 155.59 25.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.59 -147.49 21.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 111.041 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -175.16 147.14 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.361 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -150.94 151.85 32.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.43 HG11 ' NE2' ' A' ' 99' ' ' GLN . 11.0 t -62.89 172.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.07 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.42 -59.07 0.76 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.09 139.48 8.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.04 174.39 12.87 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.444 1.76 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.469 ' HG3' ' CZ2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -75.04 93.06 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.415 ' HB3' ' OE2' ' A' ' 26' ' ' GLU . 28.2 t70 -41.28 -28.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.82 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -153.03 151.27 30.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.45 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 63.2 mt -130.5 146.02 51.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.82 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -130.27 112.46 13.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.025 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.595 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 8.5 p -71.16 121.07 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 53' ' ' LEU . 1.8 t60 -114.88 -32.99 5.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.47 160.34 37.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -52.08 110.2 0.46 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.26 23.0 78.64 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.601 1.188 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.442 ' CG2' HD21 ' A' ' 53' ' ' LEU . 1.3 mp -126.09 136.11 61.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 0.805 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.5 m-85 -133.56 154.08 51.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.95 134.12 52.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.467 ' CB ' ' HB2' ' A' ' 29' ' ' ARG . 22.5 t0 -82.76 -177.16 6.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.481 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 5.6 pt-20 -96.67 18.12 14.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -140.46 25.3 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 67.79 44.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.467 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 47.0 mtt180 -121.83 115.37 22.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.608 1.192 . . . . 0.0 110.265 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.3 p -76.21 146.2 39.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.469 ' CZ2' ' HG3' ' A' ' 12' ' ' PRO . 58.0 m95 -127.55 155.25 44.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.527 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.1 t -120.18 87.89 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -73.67 104.88 4.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.1 t -95.74 81.05 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.354 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 p -43.89 107.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 43' ' ' ARG . 9.9 mm-40 -110.59 89.51 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -52.77 109.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.248 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.46 ' CB ' ' HB2' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -68.53 162.0 26.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 m -49.09 -29.62 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.77 42.26 0.25 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.527 ' CD1' ' HD3' ' A' ' 104' ' ' LYS . 9.6 m-85 -161.49 -176.37 5.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.43 ' CD2' ' C ' ' A' ' 41' ' ' PHE . 2.5 mm? -126.63 93.66 3.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.112 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 1.4 ttp180 -103.77 134.66 46.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.44 109.44 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -80.58 106.25 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.258 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.449 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -93.53 105.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.284 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.648 ' OE1' ' CG1' ' A' ' 98' ' ' VAL . 0.1 OUTLIER -105.08 129.85 53.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.15 . . . . 0.0 110.263 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.432 ' C ' HG21 ' A' ' 49' ' ' ILE . 1.3 tm0? -90.07 120.07 30.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -148.34 164.53 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.416 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -87.93 102.48 14.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 9.0 p -150.15 138.82 12.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -74.96 163.57 35.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.397 1.735 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.55 ' HB3' ' CD2' ' A' ' 18' ' ' HIS . 2.0 mp -117.54 118.4 32.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.1 -104.1 0.05 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.483 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 6.4 m-20 -89.02 177.54 6.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.736 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.55 51.34 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.6 -145.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.44 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 6.7 mtt180 -133.93 62.58 58.4 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 63' ' ' LEU . 18.0 Cg_endo -75.01 -89.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.1 p -41.31 -28.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.504 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.0 m170 -63.41 -50.54 69.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.604 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -90.46 -17.33 27.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -81.36 -63.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.9 m -80.32 -64.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 p 75.79 37.73 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -125.54 -59.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.232 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 4.2 mp -65.68 142.12 98.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.609 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.99 169.52 22.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 110.992 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.482 HD22 ' CE1' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -77.71 -8.98 58.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.609 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -170.69 142.91 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.506 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -109.51 155.22 21.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 108.041 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -137.17 99.59 4.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.582 HD13 ' CE1' ' A' ' 79' ' ' TYR . 10.8 tp -51.11 112.68 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.585 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.82 -178.87 0.77 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -75.04 174.86 12.07 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.477 1.777 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.611 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.1 OUTLIER 78.69 -81.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.266 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.611 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 44.2 tt0 169.71 55.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.505 ' CD ' ' C ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -155.12 162.98 40.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.582 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-85 -110.86 124.42 52.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.585 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -99.35 120.31 39.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.483 ' OD2' ' C ' ' A' ' 81' ' ' ASP . 42.4 p30 -85.67 -174.16 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.98 0.53 20.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.572 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.6 t-20 -80.11 -4.18 51.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 1.6 t 91.12 36.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.961 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.479 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 21.6 mmt-85 -142.67 163.55 32.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.498 ' CD2' ' HB3' ' A' ' 78' ' ' ARG . 1.5 tt -126.14 121.53 33.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.645 ' CD2' ' HB2' ' A' ' 105' ' ' LEU . 8.0 m95 -96.53 137.58 35.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' A' ' 104' ' ' LYS . 5.0 tt0 -97.51 126.17 42.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.505 HD12 ' CD1' ' A' ' 79' ' ' TYR . 19.7 mm -63.45 94.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -54.45 -45.35 73.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.216 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.585 ' CE1' HD13 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -173.03 135.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.547 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 21.6 t-80 -131.42 116.23 17.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.611 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.473 HD23 ' CD2' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -153.02 -179.22 7.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.215 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.403 ' CE ' ' HG3' ' A' ' 99' ' ' GLN . 4.6 ttm -128.81 132.57 47.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.2 t -136.72 138.88 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 48.94 37.78 10.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 68.91 20.71 74.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.648 ' CG1' ' OE1' ' A' ' 47' ' ' GLN . 2.0 t -122.35 130.83 74.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.43 ' NE2' HG11 ' A' ' 8' ' ' VAL . 21.9 mt-30 -94.15 116.06 28.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -107.94 104.02 13.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.564 ' HG ' ' CD2' ' A' ' 92' ' ' HIS . 1.9 tt -99.7 123.12 43.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.585 HD13 ' CE1' ' A' ' 91' ' ' HIS . 3.1 mt -98.23 121.36 40.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.499 HD21 ' CG ' ' A' ' 79' ' ' TYR . 18.0 mt -112.0 129.36 56.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.562 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -119.58 129.59 54.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.645 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 45.0 tp -108.32 123.96 49.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.7 mp -87.1 152.64 53.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.235 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 137.81 21.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 109' ' ' ASP . 0.8 OUTLIER -41.1 108.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' ASP . 9.9 t70 -40.23 123.24 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' SER . 0.1 OUTLIER -146.36 156.28 43.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 110' ' ' ARG . 0.1 OUTLIER -39.1 99.65 0.2 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.386 1.054 . . . . 0.0 110.013 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 75.38 3.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.535 1.808 . . . . 0.0 111.056 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 114' ' ' ILE . . . 41.41 -102.93 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.461 ' C ' ' O ' ' A' ' 113' ' ' GLY . 1.6 tp 34.9 88.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.56 0.8 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -121.87 82.89 2.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.637 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.43 133.1 5.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.364 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 54.63 171.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 0.734 . . . . 0.0 109.974 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.4 ttm -159.98 77.65 0.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.29 157.07 23.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.94 159.01 11.51 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -175.5 147.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.26 149.72 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.414 HG11 ' NE2' ' A' ' 99' ' ' GLN . 2.8 t -66.94 177.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.16 -57.72 0.38 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.32 137.74 6.95 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.747 . . . . 0.0 109.278 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.587 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.93 173.55 14.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.443 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.3 Cg_endo -74.97 94.16 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 110.982 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -41.78 -28.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.753 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.87 148.31 27.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 57.5 mt -128.29 147.14 50.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.753 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.1 m0 -130.53 111.77 12.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 108.008 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.515 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 8.2 p -67.39 122.6 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.538 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 3.6 t60 -114.35 -33.01 5.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 109.595 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -138.68 158.34 44.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.482 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 6.0 pt-20 -51.1 108.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 77.76 23.73 66.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 4.4 mp -130.21 139.22 51.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.44 0.729 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.525 ' OH ' ' HB3' ' A' ' 67' ' ' LEU . 13.9 m-85 -137.04 153.25 50.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.038 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.91 134.95 50.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' ARG . 28.8 t0 -80.87 180.0 7.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.598 1.186 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 16.2 pt-20 -95.73 14.4 23.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -140.18 29.94 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 66.69 47.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.586 1.178 . . . . 0.0 110.287 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 25' ' ' ASP . 2.7 mtt180 -125.46 117.43 23.65 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.442 ' CG2' HD23 ' A' ' 53' ' ' LEU . 19.1 p -79.01 148.04 32.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.493 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 63.0 m95 -133.41 148.56 51.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.523 ' CG2' HD12 ' A' ' 49' ' ' ILE . 2.4 t -114.78 92.89 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.211 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -77.24 111.81 13.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.7 t -103.07 97.12 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.249 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.27 115.37 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -144.22 106.99 4.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 110.327 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -71.37 150.76 44.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.09 129.98 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.407 ' O ' ' CB ' ' A' ' 40' ' ' SER . 53.5 m 63.73 22.52 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 39' ' ' THR . 0.1 OUTLIER 78.36 41.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.435 ' CD2' ' HE3' ' A' ' 104' ' ' LYS . 19.7 m-85 -129.67 176.74 7.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -120.67 88.2 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 11.0 ttm180 -96.72 121.68 38.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.229 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -110.14 82.42 1.59 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.409 ' HG3' ' CD2' ' A' ' 102' ' ' LEU . 3.0 ttm-85 -58.96 110.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 1.1 t -99.0 109.58 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.509 ' HG3' ' CG1' ' A' ' 98' ' ' VAL . 3.3 tt0 -106.77 134.34 50.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.477 ' OE1' ' NE1' ' A' ' 31' ' ' TRP . 30.9 tp60 -88.29 126.83 35.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.523 HD12 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -154.06 177.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -109.25 107.12 17.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 7.1 p -142.19 128.48 10.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -75.03 65.13 6.1 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.525 HD13 ' CG ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -59.38 108.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.463 ' O ' ' NE2' ' A' ' 18' ' ' HIS . . . -97.1 -71.71 1.07 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.951 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.491 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 26.3 t70 -45.0 138.41 3.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.538 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . . . -141.8 55.56 1.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.2 -143.76 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.436 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 5.8 mtm180 -133.48 62.78 61.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.5 Cg_endo -74.99 -77.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 20' ' ' GLU . 53.4 p -63.47 -29.29 70.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.471 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 4.4 m170 -55.6 -30.61 61.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.653 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.07 -33.06 6.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 60' ' ' SER . 0.2 OUTLIER -71.72 -53.26 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' SER . 74.7 m -75.24 -66.93 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 p 67.43 36.78 3.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.944 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -127.84 -61.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.352 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.525 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 3.7 mp -67.08 142.97 97.55 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.655 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.0 Cg_endo -75.08 162.09 37.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.54 1.811 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.43 HD11 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -69.65 -19.19 63.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.61 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 6.2 ttp -161.08 143.26 12.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.5 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.7 m0 -108.94 154.5 22.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -137.74 93.33 2.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 110.327 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.565 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 4.2 tp -40.99 124.49 2.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.569 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -120.79 -178.53 0.6 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.561 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.01 166.11 29.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 78.37 6.88 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.364 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 70.92 49.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -140.16 160.19 40.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 73' ' ' LEU . 2.5 m-30 -112.03 121.66 45.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.569 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -97.06 117.0 30.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.49 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 34.3 p30 -71.04 -172.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -114.04 0.51 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.636 ' O ' ' CB ' ' A' ' 84' ' ' SER . 6.2 t-20 -82.02 -51.03 8.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 2.8 m 146.91 39.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.464 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 20.3 mtt180 -144.87 161.53 39.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.345 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.402 HD21 ' N ' ' A' ' 87' ' ' TRP . 1.1 tt -127.33 115.75 19.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.655 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 8.2 m95 -90.14 136.95 32.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 104' ' ' LYS . 4.2 tt0 -95.65 121.6 37.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.55 HD12 ' CD1' ' A' ' 79' ' ' TYR . 7.6 mm -60.66 92.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -44.38 66.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.075 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.624 ' CE1' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.38 143.15 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.616 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.587 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 24.7 t-80 -139.88 115.71 10.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.623 1.202 . . . . 0.0 109.601 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.575 HD12 ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -157.89 -171.36 3.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.445 ' HE3' ' NE2' ' A' ' 99' ' ' GLN . 2.9 ttm -117.09 124.76 50.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.3 t -124.24 132.36 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER 49.02 38.61 12.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.92 26.32 73.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.509 ' CG1' ' HG3' ' A' ' 47' ' ' GLN . 2.1 t -130.76 135.6 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.445 ' NE2' ' HE3' ' A' ' 94' ' ' MET . 14.0 mm-40 -82.57 113.69 20.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.454 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 35.1 tt0 -109.79 106.21 15.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.577 ' HG ' ' CD2' ' A' ' 92' ' ' HIS . 2.0 tt -104.42 122.58 45.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.624 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 2.4 mt -99.33 123.85 43.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' ' 43' ' ' ARG . 18.0 mt -113.63 127.73 56.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -116.47 129.8 56.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.6 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 46.6 tp -109.15 116.06 31.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.8 mp -89.11 151.11 46.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 110.71 3.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.466 1.771 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -71.97 99.36 2.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -122.25 152.69 39.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 109' ' ' ASP . 0.2 OUTLIER -35.84 132.02 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 110.267 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.35 118.27 1.43 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.023 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.26 40.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.436 1.756 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -161.43 81.16 0.14 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.548 1.155 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.9 mm -48.29 107.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 0.788 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -79.73 109.84 14.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.83 127.76 29.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.8 t70 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.07 120.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 0.797 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 177.24 101.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.16 157.3 28.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.81 147.08 9.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -169.08 156.61 7.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.76 . . . . 0.0 110.297 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.34 144.08 49.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.244 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -54.87 166.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.37 -63.68 2.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.546 1.154 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.49 137.47 6.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.776 . . . . 0.0 109.271 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -75.03 174.15 13.29 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.513 1.796 . . . . 0.0 110.971 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.498 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.4 Cg_endo -74.94 90.95 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.805 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.413 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 14.3 t0 -40.6 -29.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.231 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.803 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -151.04 149.3 29.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.612 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.49 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 62.3 mt -129.29 146.46 51.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.803 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.1 m0 -131.58 111.3 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.163 . . . . 0.0 107.999 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.576 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 11.1 p -71.74 118.26 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.501 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 1.6 t-160 -114.91 -33.65 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.642 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.675 ' NE2' ' H ' ' A' ' 54' ' ' GLY . 1.7 mt-30 -125.96 161.11 28.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.416 ' HB2' ' HB2' ' A' ' 59' ' ' PRO . 2.7 tt0 -54.63 113.35 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 69.47 23.75 76.39 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.442 1.088 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp -122.56 157.46 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.2 m-85 -151.08 149.34 29.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' TRP . 1.4 ttp85 -105.74 131.12 53.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -81.49 179.9 7.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 13.1 tt0 -94.19 16.83 13.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -140.99 28.34 1.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 65.69 48.02 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HB3' ' NE2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -126.86 117.44 22.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.29 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.478 ' CG2' HD22 ' A' ' 53' ' ' LEU . 1.4 p -80.43 134.45 36.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.498 ' CE2' ' HG3' ' A' ' 12' ' ' PRO . 54.5 m95 -116.84 150.35 38.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 107.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.528 ' CG2' HD12 ' A' ' 49' ' ' ILE . 2.5 t -116.79 103.47 15.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.523 ' HB1' ' CD2' ' A' ' 67' ' ' LEU . . . -87.15 112.92 22.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.6 t -100.05 81.73 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 p -45.99 112.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.78 91.1 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.36 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -55.49 99.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.478 ' CB ' ' HB2' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -57.16 165.13 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.0 m -49.08 -37.8 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.179 . . . . 0.0 110.403 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.554 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 14.5 t -151.92 37.84 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.993 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 40' ' ' SER . 52.1 m-85 -156.38 176.04 13.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -119.83 104.3 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.243 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 23.0 ttm180 -113.98 133.78 55.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.21 89.96 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -64.69 110.27 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 101' ' ' LEU . 1.9 t -98.91 117.35 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -111.04 134.62 52.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.424 ' OE1' ' N ' ' A' ' 49' ' ' ILE . 5.8 tp-100 -93.01 123.28 36.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.574 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -147.77 165.2 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.78 82.02 3.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.6 m -129.85 136.66 29.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 150.54 37.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 53' ' ' LEU . 1.2 mm? -73.84 112.16 9.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.675 ' H ' ' NE2' ' A' ' 19' ' ' GLN . . . -70.56 -102.36 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.501 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 2.3 p30 -75.43 -173.97 2.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -159.89 63.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.416 ' C ' ' HD3' ' A' ' 59' ' ' PRO . . . -121.76 -140.09 0.33 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.49 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 1.5 mtt85 -133.57 60.0 44.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.231 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.49 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -75.04 -86.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.811 . . . . 0.0 111.012 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.4 ' HB2' ' HG3' ' A' ' 20' ' ' GLU . 40.0 t -40.71 -33.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.505 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.8 m170 -58.14 -49.76 75.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.628 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' PRO . 6.5 mt -96.3 5.26 51.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -110.94 4.49 19.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.7 m -155.11 -56.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.407 ' O ' ' OG ' ' A' ' 65' ' ' SER . 1.1 p 64.43 39.68 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -122.84 -59.42 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.523 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 3.3 mp -67.84 140.13 93.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.365 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.655 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.04 167.18 27.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.545 1.813 . . . . 0.0 110.979 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.49 HD12 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -75.32 -14.64 60.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.38 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.622 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -164.33 141.67 6.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.072 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.507 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.3 m0 -107.46 155.77 19.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 80' ' ' MET . 2.8 tp60 -135.37 98.93 4.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.549 HD13 ' CE1' ' A' ' 79' ' ' TYR . 11.5 tp -51.34 115.98 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -101.39 -177.43 0.56 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.551 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.06 179.21 6.32 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 1.1 mm-40 70.6 -79.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 9.5 tt0 168.66 62.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.468 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 84.4 mtt180 -157.27 160.14 38.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.556 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.3 m-85 -111.39 121.44 45.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.559 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -94.93 121.2 36.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.965 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.482 ' OD2' ' C ' ' A' ' 81' ' ' ASP . 42.9 p30 -87.24 -173.37 4.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -109.63 0.62 19.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.231 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.538 ' O ' ' CB ' ' A' ' 84' ' ' SER . 5.5 t-20 -82.12 -2.91 53.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 88.51 36.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.436 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 9.1 mtt180 -141.31 156.3 45.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -120.48 119.47 33.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.371 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.655 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 8.3 m95 -94.22 136.31 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 108.02 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 104' ' ' LYS . 4.2 tt0 -94.54 122.7 37.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.556 HD11 ' CD1' ' A' ' 79' ' ' TYR . 9.9 mm -63.47 94.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -45.66 70.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.217 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.7 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.98 147.56 2.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.548 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 25.1 t-80 -142.93 109.6 5.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.655 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.5 HD22 ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -145.85 -170.56 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.261 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.8 ttm -131.22 129.39 41.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 98' ' ' VAL . 49.4 t -134.79 139.46 47.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? 47.58 39.44 9.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.246 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.15 27.07 72.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.115 . . . . 0.0 111.043 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.453 HG22 HG23 ' A' ' 49' ' ' ILE . 2.1 t -130.33 134.5 62.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -95.32 115.4 27.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.42 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 30.8 tt0 -106.27 110.68 23.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.507 ' CD2' ' CD1' ' A' ' 89' ' ' ILE . 1.8 tt -105.77 121.89 44.95 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.7 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.2 mt -98.02 125.49 43.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.487 ' CD2' ' HB2' ' A' ' 79' ' ' TYR . 17.4 mt -115.24 129.15 56.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -118.53 127.03 53.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.629 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 35.1 tp -106.39 122.97 47.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -84.38 159.06 59.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -44.45 105.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 110' ' ' ARG . 0.7 OUTLIER -105.24 141.99 35.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -37.89 154.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.3 t -159.66 118.56 1.64 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 113.13 3.72 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.01 -59.02 6.77 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.432 1.082 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.0 tt -41.92 108.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -138.65 136.38 35.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.616 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.37 136.46 20.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 110.285 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.2 t0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.363 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t -179.5 137.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 0.722 . . . . 0.0 110.043 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.7 tpt 66.17 72.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.06 90.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 130.57 64.9 0.1 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.474 1.108 . . . . 0.0 111.09 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -65.89 150.23 48.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 0.72 . . . . 0.0 110.338 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.39 151.87 15.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.405 HG11 ' CG ' ' A' ' 99' ' ' GLN . 2.4 t -69.94 -179.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.66 -71.32 1.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.66 142.19 10.04 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.553 0.796 . . . . 0.0 109.314 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.521 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.01 173.91 13.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.047 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.474 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.2 Cg_endo -75.0 93.15 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.431 1.753 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.416 ' HA ' ' CB ' ' A' ' 73' ' ' LEU . 15.6 t0 -41.86 -29.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.811 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -151.4 148.82 28.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.57 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 62.6 mt -129.37 146.12 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.811 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.6 m0 -130.81 112.64 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.601 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 8.3 p -73.49 119.14 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.474 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.5 t-160 -115.22 -34.38 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.575 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -127.67 158.24 38.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.348 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.02 110.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 71.93 21.72 78.96 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mp -124.09 139.16 51.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.583 0.813 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.601 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.3 m-85 -134.83 152.26 51.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -107.05 133.23 52.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.093 . . . . 0.0 110.294 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -85.7 179.7 7.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.18 23.54 2.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.461 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 8.1 m-85 -154.13 48.56 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 7.4 pm0 46.72 41.84 10.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.175 . . . . 0.0 110.28 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.87 110.09 17.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.465 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 7.1 p -74.98 144.53 43.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.371 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.505 ' CH2' ' HB3' ' A' ' 99' ' ' GLN . 49.7 m95 -124.64 153.1 42.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.02 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.58 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.1 t -117.51 97.91 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -83.07 104.56 13.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.419 HG13 ' NH2' ' A' ' 45' ' ' ARG . 99.1 t -89.21 75.97 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.435 ' CG2' HG23 ' A' ' 64' ' ' THR . 2.6 p -52.13 109.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 3.1 pt-20 -123.39 92.41 3.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' HG2' ' CD1' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -48.65 111.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -66.69 160.17 26.19 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 110.252 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 m -47.34 -31.32 3.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.01 39.74 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.958 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -160.8 -174.5 4.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.406 ' CD1' ' HG2' ' A' ' 37' ' ' GLU . 2.3 mm? -128.87 101.88 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 23.4 ttp85 -110.52 125.41 53.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.1 92.4 3.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.366 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.419 ' NH2' HG13 ' A' ' 34' ' ' VAL . 4.7 ttm180 -70.51 109.59 4.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.497 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -96.5 113.42 30.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.6 tt0 -109.05 133.75 52.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.513 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 27.6 tp60 -90.8 124.45 35.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.542 HD13 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -156.44 168.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 1.0 OUTLIER -91.59 112.03 23.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.364 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 2.1 p -152.23 133.61 8.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -74.99 136.11 19.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.545 1.813 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.423 ' HB3' ' CD2' ' A' ' 18' ' ' HIS . 0.6 OUTLIER -82.05 110.7 17.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.36 -100.31 0.15 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.485 ' CG ' ' N ' ' A' ' 56' ' ' ALA . 2.1 t70 -83.7 168.75 15.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.584 0.814 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.485 ' N ' ' CG ' ' A' ' 55' ' ' ASP . . . -140.7 54.33 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.36 -142.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.235 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.422 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 53.7 mtt180 -134.85 63.34 57.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 62' ' ' LEU . 18.0 Cg_endo -75.06 -87.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.445 1.76 . . . . 0.0 111.005 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 64' ' ' THR . 9.4 t -41.98 -29.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.498 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 3.1 m170 -63.55 -47.96 79.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -86.21 -29.31 23.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 tt -74.58 -68.49 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.435 HG23 ' CG2' ' A' ' 35' ' ' VAL . 24.3 m -76.27 -69.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 110.441 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 p 75.82 36.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.948 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -119.64 -57.71 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 3.3 mp -66.84 143.12 97.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.62 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -74.98 168.37 25.0 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.415 HD22 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.95 -24.3 59.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.511 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -156.7 140.6 16.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.493 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.6 m0 -105.39 155.07 19.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.038 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 80' ' ' MET . 2.9 tp60 -134.09 95.81 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.522 HD13 ' CE1' ' A' ' 79' ' ' TYR . 1.0 OUTLIER -41.87 123.07 2.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.595 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -124.59 175.55 2.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -74.91 177.81 8.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 1.0 OUTLIER 67.32 19.49 10.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 58.61 50.91 8.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 110.264 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.486 ' CB ' HD23 ' A' ' 86' ' ' LEU . 24.0 mtm180 -144.2 157.85 44.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-30 -111.57 128.93 56.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.595 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -101.43 119.35 38.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.408 ' HB3' ' HG3' ' A' ' 68' ' ' PRO . 7.4 p30 -92.52 176.08 6.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -97.59 2.32 49.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 84' ' ' SER . 1.9 t-20 -79.25 -2.16 39.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.9 OUTLIER 85.65 36.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.937 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.458 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 17.2 mmt85 -144.51 162.24 37.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 110.277 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.486 HD23 ' CB ' ' A' ' 78' ' ' ARG . 1.3 tt -125.85 116.25 21.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.635 ' CD2' ' HB2' ' A' ' 105' ' ' LEU . 9.3 m95 -89.63 140.26 29.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 107.96 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.7 tt0 -96.17 129.13 43.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.576 HD11 ' CD1' ' A' ' 79' ' ' TYR . 5.6 mm -73.11 90.94 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -53.47 -42.08 66.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.66 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -170.53 150.41 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.547 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.521 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 15.4 t-80 -147.96 115.09 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.587 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.626 HD13 ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -152.52 -172.91 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 1.3 ttp -140.85 122.32 15.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.8 t -126.91 143.31 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.88 34.85 8.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 69.13 23.97 76.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.453 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.0 t -124.17 126.28 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.505 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -91.26 117.86 30.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 110.285 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.434 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 35.1 tt0 -111.52 104.68 13.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.48 HD22 ' CD1' ' A' ' 89' ' ' ILE . 1.9 tt -102.45 124.78 48.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.66 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.4 mt -100.74 128.16 46.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.464 HD23 ' CG ' ' A' ' 79' ' ' TYR . 17.2 mt -118.31 131.92 56.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -120.03 126.29 50.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.635 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 37.3 tp -106.44 114.45 28.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.0 mp -92.72 156.35 41.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 137.19 21.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -41.55 105.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.403 1.065 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.06 144.35 33.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.214 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 -137.16 153.45 50.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.3 p -166.93 88.32 0.79 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.045 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 135.79 19.62 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.444 1.76 . . . . 0.0 110.99 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -110.35 -162.9 18.78 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.1 tp -96.43 115.29 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.1 109.35 17.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.534 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -136.51 135.25 38.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 3' ' ' MET . 33.5 p 178.57 -177.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 0.744 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.494 ' CB ' ' O ' ' A' ' 2' ' ' SER . 6.1 ttm 80.76 147.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.18 155.95 25.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.39 63.61 2.33 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 6' ' ' GLU . 3.7 pt-20 -82.87 50.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.482 0.754 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.473 ' O ' ' O ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER 55.19 161.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 9' ' ' GLY . 67.7 t -69.42 165.5 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.428 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -80.64 -67.39 1.55 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.477 1.11 . . . . 0.0 111.052 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.88 144.19 10.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.581 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -74.98 174.83 12.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.464 1.77 . . . . 0.0 111.011 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.528 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.3 Cg_endo -75.0 91.65 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' PRO . 15.7 t70 -40.09 -29.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.787 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.54 146.83 26.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.548 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 56.0 mt -126.2 150.1 48.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.787 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 15.8 m0 -132.08 106.65 8.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 108.026 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.548 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 2.0 p -65.96 124.61 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 109.248 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.427 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 4.1 t60 -113.43 -31.84 6.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.638 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -146.46 160.69 41.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 9.8 pt-20 -49.58 109.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 110.26 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.467 ' CA ' ' O ' ' A' ' 33' ' ' ALA . . . 74.95 24.93 70.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.452 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 3.2 mp -130.44 130.44 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.548 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.4 m-85 -133.71 153.8 51.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.058 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -111.53 131.86 54.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' ARG . 12.0 t0 -80.15 176.7 9.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.533 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 11.9 tt0 -91.38 24.28 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.591 1.182 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -149.47 27.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 67.91 40.21 2.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER -115.78 114.87 25.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.871 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.8 p -79.48 140.84 37.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.479 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 53.6 m95 -122.57 156.15 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 108.038 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.1 t -119.78 93.98 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.493 ' HB1' ' CD2' ' A' ' 67' ' ' LEU . . . -76.43 116.49 17.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 t -106.85 90.61 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.2 p -64.91 113.98 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -140.58 93.86 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.348 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.7 154.35 29.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.04 156.27 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.241 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.2 m 48.85 33.45 4.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.46 41.83 22.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.093 . . . . 0.0 110.012 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -138.53 -173.07 3.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.472 ' O ' ' CD ' ' A' ' 104' ' ' LYS . 39.7 mt -116.48 140.2 49.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -149.1 118.7 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.84 85.98 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -64.6 108.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 101' ' ' LEU . 1.1 t -95.62 110.79 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.2 tt0 -110.58 127.69 55.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.462 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 1.1 tm0? -89.0 118.93 29.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.506 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -154.7 159.73 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -69.38 114.26 7.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.451 ' CG2' ' HD2' ' A' ' 52' ' ' PRO . 11.1 p -148.42 140.02 14.13 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.451 ' HD2' ' CG2' ' A' ' 51' ' ' VAL . 18.5 Cg_endo -74.96 168.74 24.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.8 mt -123.23 144.01 49.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.51 114.29 0.59 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.427 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 7.7 t70 67.76 138.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.781 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.99 55.48 1.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 109.266 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.31 -101.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.593 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 11.3 mtt180 -159.33 54.31 0.65 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.593 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.4 Cg_endo -75.03 -43.55 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.447 1.762 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.9 p -66.51 -6.71 15.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 110.048 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.557 ' CE1' HD22 ' A' ' 69' ' ' LEU . 35.4 m170 -108.91 -41.2 4.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.064 . . . . 0.0 109.543 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.15 -48.44 14.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -72.83 -66.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.428 ' CG2' HD13 ' A' ' 67' ' ' LEU . 1.6 m -71.14 -69.72 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 2.6 p 69.22 40.62 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -138.68 -57.85 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.142 . . . . 0.0 110.34 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.514 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 2.5 mp -66.8 144.56 98.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.698 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.04 167.65 26.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.986 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.557 HD22 ' CE1' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -70.91 -40.28 72.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.685 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 5.3 ttp -140.52 141.67 35.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.497 ' CZ3' ' CE2' ' A' ' 23' ' ' TYR . 1.7 m0 -106.42 157.9 17.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 108.033 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -139.41 107.25 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.532 HD13 ' CE1' ' A' ' 79' ' ' TYR . 8.6 tp -59.7 115.41 3.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.253 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.55 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -102.12 -178.47 0.66 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.949 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.02 165.5 31.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 6.3 tt0 86.45 -75.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.582 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 4.4 tt0 162.08 56.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.442 ' CB ' HD21 ' A' ' 86' ' ' LEU . 14.7 mtp180 -153.91 158.58 40.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.579 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-30 -107.44 126.04 51.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.535 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.6 OUTLIER -99.46 117.34 33.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.434 ' OD1' ' CD1' ' A' ' 87' ' ' TRP . 1.6 p30 -89.27 177.28 6.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.69 0.94 42.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 84' ' ' SER . 18.3 t30 -80.44 -2.61 46.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.6 OUTLIER 86.86 34.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.429 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -141.3 158.92 43.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.203 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.442 HD21 ' CB ' ' A' ' 78' ' ' ARG . 1.3 tt -125.03 114.94 19.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.698 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 8.3 m95 -89.1 139.42 30.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.062 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.7 tt0 -94.91 122.52 37.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.579 HD11 ' CD1' ' A' ' 79' ' ' TYR . 16.9 mm -63.18 90.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.77 -44.13 58.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.698 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.66 154.99 3.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.581 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 22.0 t-80 -151.88 112.19 4.11 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.095 . . . . 0.0 109.587 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.611 HD11 ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -152.91 -170.44 3.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.413 ' CB ' HG21 ' A' ' 8' ' ' VAL . 2.5 ttm -121.44 122.44 39.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.442 1.088 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.7 t -125.72 134.34 66.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 50.07 38.13 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.246 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 68.28 24.79 74.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.439 ' CG2' HG21 ' A' ' 49' ' ' ILE . 2.1 t -131.62 131.53 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.78 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.401 ' HG2' ' CG1' ' A' ' 8' ' ' VAL . 3.2 mt-30 -86.0 112.35 21.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.449 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 35.3 tt0 -103.78 113.9 27.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' VAL . 1.8 tt -108.34 125.26 51.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.698 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 1.9 mt -101.68 129.84 47.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.519 HD23 ' CG ' ' A' ' 79' ' ' TYR . 15.8 mt -118.61 125.86 50.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -114.65 126.62 55.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.628 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 43.4 tp -106.37 118.04 35.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.2 mp -97.91 157.77 34.03 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 121.24 6.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -56.92 106.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -90.38 140.96 29.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.21 153.83 50.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.594 1.184 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.5 p -139.69 96.48 8.49 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 109.95 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 160.41 40.31 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.87 -40.94 1.4 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.535 1.147 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.418 ' O ' ' CG2' ' A' ' 114' ' ' ILE . 2.1 mp -92.59 77.65 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 0.799 . . . . 0.0 109.341 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -148.07 82.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 109.542 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.26 119.7 7.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.234 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.354 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 p -137.32 176.71 8.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 0.751 . . . . 0.0 110.054 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 8.4 ttm -166.68 86.18 0.29 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.8 152.76 30.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.398 1.061 . . . . 0.0 109.301 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.77 165.78 32.24 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -171.22 135.17 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.24 145.28 31.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.48 HG23 ' HA ' ' A' ' 93' ' ' LEU . 4.5 t -67.32 173.54 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.96 -53.76 0.69 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.464 1.102 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.46 136.69 6.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 0.0 109.247 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.627 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.98 174.51 12.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.525 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.3 Cg_endo -74.98 95.35 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.792 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -43.18 -27.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.807 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -155.07 148.76 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.567 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 49.8 mt -126.77 147.44 49.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.807 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 15.7 m0 -131.03 111.6 12.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 107.959 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.6 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 9.5 p -70.57 122.99 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 55' ' ' ASP . 1.8 t-160 -114.78 -33.71 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.087 . . . . 0.0 109.603 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.434 ' HA ' ' HG2' ' A' ' 59' ' ' PRO . 2.0 mt-30 -133.22 167.5 20.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.268 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.522 ' HA ' ' CB ' ' A' ' 60' ' ' SER . 13.5 pt-20 -59.87 108.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 77.89 22.14 69.71 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.464 1.103 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 mp -124.15 155.47 31.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.574 0.808 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.0 m-85 -153.3 152.94 31.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -110.48 132.48 54.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' ARG . 26.9 t0 -80.12 178.68 8.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.374 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.553 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 26.5 tt0 -93.72 18.87 9.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -144.9 29.13 1.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 67.26 45.56 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.576 ' NH1' HE22 ' A' ' 99' ' ' GLN . 1.4 mtm180 -122.42 116.16 23.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.602 1.189 . . . . 0.0 110.264 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 p -79.95 139.05 37.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.524 ' CE2' ' HG3' ' A' ' 12' ' ' PRO . 58.4 m95 -123.54 152.93 41.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 107.984 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.486 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -121.48 96.41 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -83.11 103.93 12.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.6 t -91.0 75.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 p -41.79 111.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -120.31 92.11 3.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -50.03 112.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -70.51 164.3 25.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.8 m -49.3 -36.17 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.05 38.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.022 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -161.72 -177.47 5.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -123.01 107.92 12.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.221 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -113.2 125.92 54.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.88 93.12 4.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 33' ' ' ALA . 2.9 ttm-85 -68.54 106.04 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -93.86 108.39 20.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' VAL . 2.2 tt0 -106.33 129.46 54.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.433 ' C ' HG23 ' A' ' 49' ' ' ILE . 1.6 tm0? -87.91 120.92 29.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.364 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.486 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -148.4 162.49 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -89.62 107.42 19.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.5 m -151.27 140.17 13.47 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 138.09 22.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.789 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.49 112.12 19.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.12 -102.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.613 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -95.62 163.95 12.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 0.795 . . . . 0.0 109.312 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.584 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . . . -137.03 53.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.426 ' C ' ' HD3' ' A' ' 59' ' ' PRO . . . -90.79 -107.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.52 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -134.05 58.67 32.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.4 Cg_endo -74.99 -68.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.522 1.801 . . . . 0.0 111.052 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.522 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -81.96 25.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 110.048 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.561 ' CE1' HD22 ' A' ' 69' ' ' LEU . 8.6 m170 -115.02 -36.03 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mt -103.93 -33.23 8.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 59' ' ' PRO . 3.1 mm? -78.19 -55.3 5.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.509 ' CG2' HD12 ' A' ' 67' ' ' LEU . 46.1 m -70.33 -73.26 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.367 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 p 66.86 37.54 4.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -146.29 -64.33 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 110.268 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.509 HD12 ' CG2' ' A' ' 64' ' ' THR . 3.7 mp -58.5 144.5 78.73 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.67 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.1 Cg_endo -75.03 149.73 37.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.778 . . . . 0.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.561 HD22 ' CE1' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -59.38 -23.04 62.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.606 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -157.47 138.28 13.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.582 ' CD1' ' HG2' ' A' ' 68' ' ' PRO . 1.4 m0 -103.78 157.73 16.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.059 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 80' ' ' MET . 2.8 tp60 -138.03 96.87 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.569 ' HA ' ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -41.61 125.01 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -121.98 167.69 13.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.949 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.468 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.97 164.75 32.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 0.2 OUTLIER 82.7 9.65 0.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.325 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 70.91 58.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.463 ' CB ' HD11 ' A' ' 86' ' ' LEU . 71.6 mtt180 -155.26 162.06 40.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-30 -117.52 130.26 56.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.102 . . . . 0.0 111.041 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.565 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 0.6 OUTLIER -103.87 123.94 48.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.486 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 29.1 p30 -79.13 -173.58 3.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -113.77 0.79 14.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.652 ' O ' ' CB ' ' A' ' 84' ' ' SER . 8.3 t-20 -83.14 -50.47 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 2.9 m 145.38 40.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.996 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.426 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 34.2 mtt85 -144.42 157.55 44.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.279 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.508 ' CD2' ' HB2' ' A' ' 80' ' ' MET . 0.4 OUTLIER -123.39 117.59 25.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.67 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 7.6 m95 -97.16 143.56 27.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 107.998 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -102.65 133.71 47.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 110.304 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.576 HD11 ' CD1' ' A' ' 79' ' ' TYR . 17.7 mm -69.63 89.01 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 102' ' ' LEU . 1.7 mm-40 -47.95 -47.47 32.58 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.581 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -173.86 126.37 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.534 1.146 . . . . 0.0 109.561 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.627 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 23.6 t-80 -119.39 114.18 21.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.596 1.185 . . . . 0.0 109.632 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.48 ' HA ' HG23 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -152.12 177.39 10.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.227 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.403 ' HE2' ' C ' ' A' ' 97' ' ' GLY . 5.6 ttm -121.35 134.42 55.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 98' ' ' VAL . 49.4 t -137.15 139.46 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 47.42 40.54 11.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.403 ' C ' ' HE2' ' A' ' 94' ' ' MET . . . 65.34 25.27 71.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 95' ' ' VAL . 2.1 t -129.35 131.03 67.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.576 HE22 ' NH1' ' A' ' 29' ' ' ARG . 63.7 mt-30 -87.64 118.7 27.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -110.25 103.16 11.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.525 ' CD1' ' HD2' ' A' ' 12' ' ' PRO . 2.9 tt -99.93 120.74 40.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.581 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.5 mt -96.99 121.7 39.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.402 ' CD2' ' HB2' ' A' ' 79' ' ' TYR . 20.6 mt -111.53 131.97 54.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -123.13 125.66 45.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.244 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.593 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 20.7 tp -101.37 123.35 45.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.75 158.82 32.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 167.42 27.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 110.992 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 109' ' ' ASP . 5.7 t0 -115.47 158.44 22.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.386 1.053 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 108' ' ' ASP . 1.5 t70 61.67 131.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 109' ' ' ASP . 2.3 mtm-85 57.01 160.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.33 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.4 p 169.46 127.43 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.33 20.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.56 1.821 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.406 ' C ' ' CD1' ' A' ' 114' ' ' ILE . . . 174.49 153.66 10.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.406 ' CD1' ' C ' ' A' ' 113' ' ' GLY . 4.2 mp -141.74 153.69 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.32 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -143.05 120.87 11.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.626 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -79.82 148.77 31.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.38 157.17 35.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 110.019 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.1 tpt -177.7 131.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.24 157.47 28.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.81 -162.04 7.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 7' ' ' ASP . 1.9 tp10 -172.13 145.47 1.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 0.769 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -157.71 149.56 22.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.0 t -69.66 168.35 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.07 -62.38 1.06 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.63 143.35 11.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.504 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -74.96 172.65 15.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HB3' ' CG ' ' A' ' 25' ' ' ASP . 18.3 Cg_endo -75.01 95.51 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -44.47 -26.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.768 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -152.63 146.91 25.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.603 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.507 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 66.4 mt -129.03 145.74 51.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.768 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.3 m0 -130.42 110.07 11.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 108.014 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.632 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 10.5 p -71.85 117.7 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CD2' ' HB3' ' A' ' 53' ' ' LEU . 1.8 t60 -113.01 -30.31 7.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.551 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -132.55 152.6 51.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 20' ' ' GLU . 1.1 pp20? -51.16 110.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.259 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 76.59 24.32 67.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mp -131.23 148.13 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.632 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.4 m-85 -143.83 152.07 40.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -107.62 132.41 53.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.404 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 23.4 t0 -85.69 179.73 7.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -88.74 23.21 2.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.545 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 12.4 m-85 -151.93 45.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.612 ' CG ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER 49.21 36.75 9.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.86 108.17 17.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 p -74.1 145.7 44.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.419 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' TYR . 51.9 m95 -124.89 158.33 33.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.552 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.1 t -120.54 101.29 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.481 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . . . -86.82 104.59 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.339 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.456 HG12 ' NH2' ' A' ' 45' ' ' ARG . 71.5 t -91.97 76.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.483 ' CG2' ' OE1' ' A' ' 66' ' ' GLN . 7.5 p -46.71 105.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -117.45 91.33 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -50.05 120.31 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.318 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.454 ' CB ' ' HB2' ' A' ' 41' ' ' PHE . 0.6 OUTLIER -75.4 160.13 30.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.5 m -46.16 -27.8 1.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 110.375 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -162.24 37.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 110.048 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.459 ' CE1' ' CD1' ' A' ' 106' ' ' LEU . 2.3 m-85 -158.14 -177.34 6.48 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 3.3 mm? -122.84 109.33 14.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.506 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -117.89 123.56 46.15 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -115.13 92.28 3.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.456 ' NH2' HG12 ' A' ' 34' ' ' VAL . 6.7 ttm180 -68.6 109.62 3.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -95.9 113.59 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.552 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.1 tt0 -108.03 128.48 54.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.529 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -86.08 123.94 31.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.542 HD12 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -156.86 165.0 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.601 1.188 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -92.76 111.71 23.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 8.4 p -155.7 138.44 10.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.97 134.84 18.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.539 ' HB3' ' CD2' ' A' ' 18' ' ' HIS . 1.3 mp -78.62 112.28 15.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.29 -114.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.052 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.516 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -76.63 -178.89 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 0.726 . . . . 0.0 109.203 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.78 54.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.217 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.4 -150.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.521 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 23.5 mtt180 -136.15 58.58 22.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.0 Cg_endo -75.04 -60.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.516 1.798 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.1 OUTLIER -67.1 -33.68 76.01 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.478 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 5.0 m170 -59.47 -30.73 68.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mp -99.91 -33.89 10.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' A' ' 64' ' ' THR . 0.4 OUTLIER -74.0 -62.73 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 109.249 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 60' ' ' SER . 13.0 m -72.4 -60.59 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.391 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 64' ' ' THR . 60.5 p 60.63 50.63 5.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.483 ' OE1' ' CG2' ' A' ' 35' ' ' VAL . 58.8 mt-30 -136.38 -56.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 3.1 mp -70.84 140.21 86.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -74.95 167.35 27.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.768 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.49 HD23 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.05 -20.95 60.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.543 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 8.1 ttp -159.44 143.37 14.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.488 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -107.78 159.15 16.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.429 ' CB ' ' O ' ' A' ' 80' ' ' MET . 2.5 tp60 -138.23 100.95 4.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.557 ' HA ' ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -46.43 121.41 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.593 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -120.47 172.75 4.34 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.928 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.592 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.1 Cg_endo -75.02 179.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.586 1.835 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 2.8 mm-40 66.52 16.32 10.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 63.03 54.31 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.485 ' HB3' ' CD1' ' A' ' 86' ' ' LEU . 7.8 mtm180 -148.25 160.91 42.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.321 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.557 ' CD1' ' HA ' ' A' ' 73' ' ' LEU . 2.1 m-30 -114.25 134.01 55.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.593 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -104.63 123.11 46.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.181 . . . . 0.0 111.041 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.434 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 6.3 p30 -96.09 178.01 5.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.36 2.46 42.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.256 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 84' ' ' SER . 14.0 t-20 -80.18 -2.64 45.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 85.04 39.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 69.6 mtt180 -148.5 158.99 44.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.492 ' CD2' ' HB2' ' A' ' 80' ' ' MET . 0.9 OUTLIER -119.55 119.32 33.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.653 ' CD2' ' HB2' ' A' ' 105' ' ' LEU . 9.0 m95 -92.39 139.31 30.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 108.071 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.0 tt0 -95.75 127.61 41.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.544 HD12 ' CD1' ' A' ' 79' ' ' TYR . 6.2 mm -68.42 93.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.437 ' CG ' ' HE3' ' A' ' 104' ' ' LYS . 3.9 mm100 -55.39 -45.7 76.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.607 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -172.12 146.96 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.575 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.572 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 24.7 t-80 -144.0 110.36 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.608 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.95 -172.99 4.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.0 ttm -116.34 126.47 53.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.5 t -127.26 133.52 67.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 49.57 37.7 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 69.81 17.89 73.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.42 ' CG2' HG22 ' A' ' 49' ' ' ILE . 2.1 t -124.55 130.68 73.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.425 0.721 . . . . 0.0 109.323 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -80.18 114.66 19.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 36.2 tt0 -106.88 106.37 16.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.622 1.201 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 92' ' ' HIS . 2.4 tt -102.08 125.58 48.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.601 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 2.9 mt -102.01 127.33 48.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.508 HD21 ' CD2' ' A' ' 79' ' ' TYR . 13.4 mt -117.72 131.43 56.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.3 tppp? -120.71 129.99 53.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.653 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 42.2 tp -110.08 122.41 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.459 ' CD1' ' CE1' ' A' ' 41' ' ' PHE . 3.9 mm? -81.94 144.97 52.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 132.26 15.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -75.39 88.18 2.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.61 150.07 22.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -135.69 152.14 50.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 110.254 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.39 95.78 0.27 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.07 34.78 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.36 -168.13 12.8 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.417 1.073 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.2 tp -85.06 110.08 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 0.0 109.299 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -74.49 107.67 6.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.638 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -41.25 135.81 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 110.311 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.275 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -47.47 173.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 110.024 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -115.35 124.37 51.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.06 111.62 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.29 -70.91 0.13 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -175.31 152.3 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 0.776 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -121.48 148.65 44.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.2 t -56.02 171.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.224 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.07 -57.77 0.95 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.64 140.24 8.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.34 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.584 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.99 173.26 14.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.963 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.473 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.5 Cg_endo -74.91 93.68 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.079 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.44 -27.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.805 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -152.02 145.89 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.596 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 54.9 mt -127.34 146.38 50.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.805 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.5 m0 -130.55 111.17 12.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.625 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.6 p -70.86 121.8 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.448 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.6 t60 -115.79 -32.54 5.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.598 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.3 158.94 42.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.535 ' CG ' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -53.47 109.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 76.51 22.07 73.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.587 1.179 . . . . 0.0 111.025 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.5 mp -127.91 143.2 41.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.625 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.3 m-85 -140.71 153.63 46.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -108.48 133.72 52.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.44 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 23.1 t0 -87.49 -178.91 6.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -90.85 19.74 5.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.538 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 4.9 m-85 -147.01 44.0 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.538 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 7.5 pt20 48.41 43.82 19.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HB2' ' HB3' ' A' ' 25' ' ' ASP . 58.6 mtt180 -121.21 109.2 14.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 p -73.52 143.84 46.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 50.6 m95 -122.5 157.99 30.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.001 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.52 ' CG2' HD13 ' A' ' 49' ' ' ILE . 2.1 t -119.74 98.37 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -86.72 111.56 20.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.0 t -103.41 102.1 13.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.405 ' HB ' HD13 ' A' ' 67' ' ' LEU . 14.9 p -65.3 123.35 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.82 104.63 2.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -60.04 158.88 10.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.13 129.91 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.7 m 66.08 23.51 11.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.25 41.05 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.155 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.419 ' HB3' ' HD3' ' A' ' 104' ' ' LYS . 27.4 m-85 -136.9 -171.67 2.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -115.6 125.66 53.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.225 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.454 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 12.1 ttp180 -138.57 139.65 38.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 103' ' ' LEU . . . -129.17 107.95 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' HG3' ' CD2' ' A' ' 102' ' ' LEU . 2.0 ttm180 -78.11 107.21 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -91.75 110.96 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.516 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.2 tt0 -107.32 127.53 53.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.465 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 1.2 tm0? -86.3 120.85 28.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.52 HD13 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -154.64 166.12 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.408 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 1.0 OUTLIER -95.38 87.13 4.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.3 m -122.91 139.15 30.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 123.27 7.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.38 110.3 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.4 -113.21 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.438 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -59.66 -172.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -160.23 60.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.18 -146.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.539 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 13.7 mtm180 -136.38 57.42 16.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.4 Cg_endo -74.98 -34.04 4.15 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.509 1.794 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.535 ' HB2' ' CG ' ' A' ' 20' ' ' GLU . 32.4 t -74.0 -43.24 58.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.948 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.501 ' CE1' HG11 ' A' ' 17' ' ' VAL . 7.3 m170 -66.93 -30.13 70.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.571 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 tp -83.74 -32.81 25.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -83.36 -69.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 60' ' ' SER . 2.8 m -75.22 -59.4 2.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.435 ' O ' ' OG ' ' A' ' 65' ' ' SER . 5.9 p 65.3 60.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -139.62 -52.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.457 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 4.1 mp -68.1 141.1 93.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.238 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.638 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -75.01 175.48 11.18 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.44 1.758 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.538 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -83.98 -14.13 51.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.228 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.596 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -166.44 139.2 3.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.463 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.9 m0 -106.27 154.09 21.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 107.968 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -135.97 94.94 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 79' ' ' TYR . 3.6 tp -41.75 126.61 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.581 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -124.48 -178.36 0.67 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.579 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.03 170.84 19.53 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.525 1.803 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 2.8 mm-40 72.93 12.45 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 65.29 47.94 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -137.75 161.67 35.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.58 ' CD1' HD13 ' A' ' 89' ' ' ILE . 2.5 m-30 -114.21 125.26 53.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.581 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 1.2 ttt -98.0 121.08 39.49 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.383 1.052 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.449 ' OD2' ' N ' ' A' ' 83' ' ' ASN . 5.7 p30 -92.37 178.63 5.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.361 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -100.58 3.04 42.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 84' ' ' SER . 26.6 t30 -80.18 -3.34 48.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 87.14 38.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.97 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.453 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 27.0 mtt180 -148.23 161.01 42.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.423 HD21 ' N ' ' A' ' 87' ' ' TRP . 1.3 tt -122.48 117.97 27.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.638 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 7.4 m95 -90.43 138.92 31.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 108.056 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.3 tt0 -97.44 122.86 40.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.58 HD13 ' CD1' ' A' ' 79' ' ' TYR . 6.0 mm -60.73 89.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -48.93 -45.91 42.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.613 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -172.7 138.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.546 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.584 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 21.7 t-80 -135.38 115.88 13.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.577 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.567 HD21 ' CD2' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -156.89 -171.66 3.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 2.7 ttm -118.87 125.64 49.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.2 t -128.06 135.11 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.7 38.95 16.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.84 25.26 73.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.072 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.48 ' CG2' HG22 ' A' ' 49' ' ' ILE . 2.1 t -132.44 132.44 60.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 109.219 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.43 ' NE2' ' OE1' ' A' ' 48' ' ' GLN . 46.1 mt-30 -82.12 112.95 19.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.472 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 33.6 tt0 -105.8 107.56 18.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' VAL . 2.1 tt -101.77 121.89 42.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.587 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 3.0 mt -97.66 121.48 39.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.476 HD23 ' CD1' ' A' ' 89' ' ' ILE . 11.9 mt -110.85 128.63 55.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -119.27 129.27 54.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.625 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 43.9 tp -109.4 127.76 54.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.437 ' N ' ' CD1' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -114.52 158.32 40.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ASP . 18.2 Cg_endo -75.07 93.7 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' PRO . 1.0 OUTLIER -40.18 111.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -128.46 112.38 14.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.211 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -133.91 152.94 52.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.3 p -88.77 125.26 63.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.998 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.2 7.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.418 1.746 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -152.06 164.94 30.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 0.0 111.023 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 23.0 mm -130.46 138.05 54.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 0.0 109.273 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -137.98 92.7 2.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.585 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.4 ttm105 -62.28 149.54 41.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.03 53.64 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.729 . . . . 0.0 110.057 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 61.47 110.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.21 146.87 15.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.29 -152.3 1.52 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.096 . . . . 0.0 111.031 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' A' ' 6' ' ' GLU . 7.7 pm0 -167.83 157.04 9.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.96 149.04 49.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 109.389 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t -44.52 164.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.93 -64.31 2.15 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.398 1.061 . . . . 0.0 111.015 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.2 143.39 10.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.427 0.722 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -75.05 172.42 16.39 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.542 1.812 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.534 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 17.9 Cg_endo -75.11 93.91 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -41.84 -28.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.797 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -152.37 148.12 27.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.52 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 66.5 mt -128.89 145.09 51.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.797 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.7 m0 -130.04 109.76 11.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 108.047 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.607 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.3 p -69.43 119.56 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 53' ' ' LEU . 2.6 t60 -114.27 -32.84 5.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.564 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -129.04 159.1 37.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 7.1 pm0 -53.42 111.4 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 73.17 27.28 68.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.469 HG23 ' CD2' ' A' ' 53' ' ' LEU . 1.7 mp -127.8 158.77 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 0.801 . . . . 0.0 109.328 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 13.0 m-85 -154.23 148.78 26.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.54 133.56 50.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 110.283 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -85.34 178.25 7.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 8.4 tt0 -88.17 23.51 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.549 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 13.5 m-85 -153.02 45.37 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.633 ' CG ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER 50.8 35.92 13.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.272 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.82 114.04 27.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 p -76.99 148.72 36.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.597 1.186 . . . . 0.0 110.416 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.524 ' N ' ' O ' ' A' ' 23' ' ' TYR . 55.4 m95 -132.52 152.73 51.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.1 t -121.77 107.69 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.501 ' HB1' ' CD2' ' A' ' 67' ' ' LEU . . . -89.66 113.81 25.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.6 t -100.34 81.61 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 p -52.74 117.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.419 1.074 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.6 97.62 2.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.95 155.35 36.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' OE2' ' NH2' ' A' ' 43' ' ' ARG . 10.2 pt-20 -172.81 149.55 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.6 m 55.99 20.57 4.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t 75.44 41.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.034 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -138.22 174.67 10.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -114.65 97.3 6.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.229 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.445 ' NH2' ' OE2' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -102.8 121.25 42.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.31 90.31 3.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -67.21 108.14 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.286 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.506 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 1.8 t -95.07 112.93 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.8 tt0 -110.33 129.97 55.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.471 ' C ' HG23 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -89.08 123.49 33.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.471 HG23 ' C ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -148.17 164.07 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.329 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.0 86.07 4.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.582 1.176 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.7 m -131.22 140.95 40.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.71 19.42 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.555 1.818 . . . . 0.0 111.002 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.574 ' HB3' ' CD2' ' A' ' 18' ' ' HIS . 0.8 OUTLIER -80.1 114.96 19.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.9 -116.97 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.463 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 0.6 OUTLIER -65.24 -172.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 0.8 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.537 ' HB1' ' CE1' ' A' ' 18' ' ' HIS . . . -159.79 64.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.597 1.186 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.407 ' C ' ' HD3' ' A' ' 59' ' ' PRO . . . -111.76 -141.8 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.511 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 47.5 mtt180 -134.99 58.88 30.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.2 Cg_endo -75.0 -72.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.576 1.83 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.431 ' HB2' ' CB ' ' A' ' 20' ' ' GLU . 3.7 t -52.54 -33.41 45.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.025 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.589 ' CE1' ' CD2' ' A' ' 69' ' ' LEU . 2.4 m170 -59.63 -42.44 92.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.606 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.7 -17.97 25.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -80.41 -62.95 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' SER . 1.2 m -83.4 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.425 ' O ' ' OG ' ' A' ' 65' ' ' SER . 4.8 p 78.05 54.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.401 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.1 OUTLIER -140.0 -58.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.501 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 4.0 mp -65.3 139.35 97.43 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.677 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.1 Cg_endo -74.99 167.63 26.63 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.589 ' CD2' ' CE1' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -76.92 -6.9 54.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.563 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -171.03 145.09 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.515 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.4 m0 -112.16 155.93 23.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 107.97 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 80' ' ' MET . 2.3 tp60 -136.05 101.77 4.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.539 HD12 ' CE1' ' A' ' 79' ' ' TYR . 14.3 tp -51.62 122.44 8.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.356 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.585 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -109.42 -179.34 0.66 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -74.9 169.02 23.53 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 1.1 tt0 80.63 -78.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 1.5 tt0 167.19 53.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.47 ' CB ' HD11 ' A' ' 86' ' ' LEU . 42.6 mtt180 -147.9 160.43 42.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.55 ' CD1' HD12 ' A' ' 89' ' ' ILE . 2.2 m-30 -112.72 131.08 55.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.585 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -102.27 124.82 48.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.465 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 31.6 p30 -80.36 -175.07 4.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.314 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.97 2.95 17.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.663 ' O ' ' CB ' ' A' ' 84' ' ' SER . 21.9 t30 -85.46 -49.17 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.663 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 6.6 t 142.78 42.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 34.8 mtt180 -147.91 156.65 42.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.065 . . . . 0.0 110.316 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.533 ' CD2' ' HB2' ' A' ' 80' ' ' MET . 1.1 tm? -120.02 119.84 34.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.677 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 7.9 m95 -94.07 138.47 32.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 108.054 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.2 tt0 -95.43 122.53 38.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.55 HD12 ' CD1' ' A' ' 79' ' ' TYR . 9.3 mm -63.87 93.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -45.39 67.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.678 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.99 147.18 2.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.663 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 24.1 t-80 -141.53 112.54 7.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.118 . . . . 0.0 109.651 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.452 HD22 ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -153.47 -171.25 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.421 ' HE2' ' N ' ' A' ' 98' ' ' VAL . 2.2 ttm -120.29 122.35 40.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.0 t -124.46 133.73 68.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 51.2 39.02 22.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.06 25.99 72.27 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 47' ' ' GLN . 2.2 t -132.67 131.31 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -81.0 115.17 20.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 33.6 tt0 -108.76 109.86 21.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.534 ' CD1' ' HD2' ' A' ' 12' ' ' PRO . 2.0 tt -105.51 122.1 45.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.363 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.678 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.2 mt -97.87 124.95 42.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 79' ' ' TYR . 15.6 mt -115.02 128.55 56.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' GLN . 1.5 tppp? -118.1 128.23 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.602 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 39.1 tp -106.68 120.2 41.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 106' ' ' LEU . 3.6 mm? -72.67 144.87 86.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.89 119.02 5.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 111.017 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -50.6 107.19 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -42.15 123.36 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -138.96 153.66 48.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.328 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.1 t -61.62 116.71 22.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.037 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 164.7 32.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.43 -166.63 42.48 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -96.59 117.09 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.254 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -93.68 102.4 14.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.579 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 66.34 92.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.0 p -147.23 128.31 14.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.78 . . . . 0.0 109.954 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.1 ttt -158.83 157.02 30.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -158.51 155.16 27.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.34 -158.68 0.06 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -175.08 141.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 0.719 . . . . 0.0 110.313 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.72 153.89 38.84 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.465 ' CG1' ' CD ' ' A' ' 99' ' ' GLN . 4.6 t -55.71 174.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.86 -57.23 0.49 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.89 138.37 7.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.43 0.724 . . . . 0.0 109.384 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.544 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.6 Cg_endo -74.96 173.78 13.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.495 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -74.97 93.93 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.548 1.815 . . . . 0.0 111.033 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -43.42 -27.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.805 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -152.35 150.13 29.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.563 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.489 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 60.2 mt -131.04 146.11 52.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.805 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -130.79 110.78 11.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 108.008 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.593 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 10.7 p -70.01 118.1 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.489 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 1.7 t-160 -113.88 -32.91 5.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.601 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.417 ' NE2' ' H ' ' A' ' 54' ' ' GLY . 1.2 mt-30 -129.86 162.03 29.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.479 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 24.4 tt0 -55.27 112.29 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 70.72 22.29 78.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 23' ' ' TYR . 1.2 mp -124.88 144.79 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.3 m-85 -139.91 152.63 46.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.985 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -108.45 133.2 52.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 29' ' ' ARG . 13.4 t0 -82.06 -177.77 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 1.195 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 11.9 pt-20 -96.69 19.57 12.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.251 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -143.77 28.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 65.35 47.12 2.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 63.6 mtt180 -125.61 115.55 20.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.335 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.2 p -76.16 147.05 38.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 110.385 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.495 ' CE2' ' HG3' ' A' ' 12' ' ' PRO . 59.2 m95 -128.74 157.08 42.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.011 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.476 ' CG2' HD12 ' A' ' 49' ' ' ILE . 2.1 t -123.43 96.79 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -82.9 99.68 9.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.39 1.056 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.2 t -86.28 81.26 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 p -47.04 101.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -108.1 95.37 5.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.54 103.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.466 ' CB ' ' HB2' ' A' ' 41' ' ' PHE . 0.7 OUTLIER -62.16 161.98 10.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.9 m -48.1 -31.56 5.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.425 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.9 t -157.76 39.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.953 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.466 ' HB2' ' CB ' ' A' ' 38' ' ' GLU . 4.1 m-85 -159.3 -177.79 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -124.03 102.41 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 0.1 OUTLIER -108.95 128.37 54.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.51 89.87 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -66.77 106.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 1.2 t -93.44 108.17 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' VAL . 0.9 OUTLIER -105.65 126.77 52.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.456 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 1.2 tm0? -85.95 120.19 27.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.507 HD11 ' N ' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -154.33 161.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.58 117.09 25.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.442 ' CG2' ' HD2' ' A' ' 52' ' ' PRO . 7.5 p -154.91 139.79 11.96 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.442 ' HD2' ' CG2' ' A' ' 51' ' ' VAL . 18.5 Cg_endo -74.99 132.4 15.4 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.56 1.821 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.15 108.42 12.64 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 109.377 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.417 ' H ' ' NE2' ' A' ' 19' ' ' GLN . . . -70.85 -113.49 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.489 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -66.25 -171.74 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 0.811 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -155.43 58.42 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.69 -147.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.562 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -136.62 56.37 13.26 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.562 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -75.05 -47.05 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' A' ' 20' ' ' GLU . 5.2 p -74.28 -0.58 17.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.954 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.532 ' CE1' HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -107.19 -41.63 5.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.6 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.14 -41.23 13.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' PRO . 2.1 tt -70.22 -65.42 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.491 ' CG2' ' HB2' ' A' ' 66' ' ' GLN . 1.4 m -70.06 -66.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 64' ' ' THR . 6.1 p 71.81 39.51 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.491 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -124.2 -62.63 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 3.9 mp -66.38 143.16 98.13 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.646 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.96 167.67 26.53 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.482 1.78 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.532 HD22 ' CE1' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -74.96 -19.31 60.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.605 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -161.22 140.82 10.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 1.097 . . . . 0.0 111.042 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.493 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.7 m0 -106.51 155.15 19.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 108.001 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -136.62 101.19 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.573 HD11 ' CE1' ' A' ' 79' ' ' TYR . 9.2 tp -51.93 113.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.574 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -101.25 -177.79 0.6 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.984 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.574 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.0 Cg_endo -74.98 173.36 14.64 Favored 'Trans proline' 0 C--N 1.362 1.237 0 O-C-N 124.389 1.731 . . . . 0.0 110.973 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.614 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.4 OUTLIER 81.0 -80.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.614 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 16.1 tt0 167.44 50.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.448 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -147.72 164.43 33.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.245 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.573 ' CE1' HD11 ' A' ' 73' ' ' LEU . 2.2 m-85 -112.24 123.14 49.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.568 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -97.55 117.66 32.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.478 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 24.7 p-10 -70.83 -168.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -117.56 -0.73 11.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.636 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.7 t-20 -81.84 -51.17 8.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 2.7 m 146.96 40.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.439 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 11.0 mtt180 -145.35 161.35 39.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 78' ' ' ARG . 1.2 tt -126.38 117.33 22.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.646 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 9.4 m95 -91.49 134.34 34.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 107.988 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 104' ' ' LYS . 1.9 tt0 -92.1 121.34 33.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.534 HD11 ' CD1' ' A' ' 79' ' ' TYR . 8.0 mm -63.6 91.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -46.1 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.68 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.02 142.81 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.615 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.544 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 23.6 t-80 -136.15 114.83 11.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.425 HD22 ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -152.67 -170.87 3.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.1 ttm -123.68 128.47 49.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' VAL . 24.5 t -127.8 135.69 62.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 47.46 38.49 7.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 68.55 25.85 74.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.5 ' CG2' HG21 ' A' ' 49' ' ' ILE . 2.2 t -130.61 129.89 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 0.747 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.465 ' CD ' ' CG1' ' A' ' 8' ' ' VAL . 42.9 mt-30 -81.44 114.23 20.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 32.7 tt0 -107.13 105.58 15.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.531 ' CD2' ' CD1' ' A' ' 89' ' ' ILE . 2.0 tt -102.09 121.4 42.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.68 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.7 mt -97.51 123.12 41.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 79' ' ' TYR . 15.0 mt -113.18 129.31 56.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.5 tppp? -117.03 126.0 52.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.557 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 34.6 tp -106.32 117.86 35.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.5 143.9 80.0 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.41 ' HD3' ' CE1' ' A' ' 41' ' ' PHE . 18.0 Cg_endo -75.0 159.34 41.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.419 1.747 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -119.25 87.58 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.7 t70 61.85 99.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.356 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -126.24 146.41 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 110' ' ' ARG . 0.2 OUTLIER 61.28 129.29 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.066 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 74.24 4.07 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.429 1.752 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.59 106.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.73 124.13 63.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.633 0.843 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -135.33 92.53 2.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 109.559 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -170.18 150.77 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.28 172.05 8.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.779 . . . . 0.0 110.028 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.3 ttm -177.82 151.17 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 110.938 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.14 155.31 24.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.09 -146.93 1.44 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.407 1.067 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -171.93 138.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 110.331 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.51 150.64 28.01 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.138 . . . . 0.0 109.392 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.612 HG22 ' CB ' ' A' ' 94' ' ' MET . 21.7 t -60.52 169.76 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.9 -62.57 1.18 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.56 145.24 10.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.657 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.97 173.88 13.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.807 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.521 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.2 Cg_endo -74.99 99.85 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -45.91 -25.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.818 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -157.64 147.1 20.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.62 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 53.1 mt -125.8 146.88 49.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.818 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 16.0 m0 -130.69 111.37 12.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 107.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.593 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 9.6 p -70.6 118.61 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.637 ' CD2' ' O ' ' A' ' 55' ' ' ASP . 1.8 t60 -114.81 -33.5 5.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.553 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -130.3 155.68 45.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -50.01 111.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.38 20.37 79.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mp -124.24 138.59 53.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 13.3 m-85 -134.11 153.01 52.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.77 131.89 54.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' ARG . 17.5 t0 -79.06 178.78 7.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.518 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 15.1 tt0 -94.02 19.7 8.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -143.69 23.53 1.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.061 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.98 44.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -122.19 117.62 26.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.273 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 p -79.98 140.9 36.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.506 ' CE2' ' OE1' ' A' ' 48' ' ' GLN . 56.2 m95 -124.02 150.51 44.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.496 ' HB ' ' CD1' ' A' ' 49' ' ' ILE . 2.4 t -113.25 88.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -81.63 113.25 19.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 45' ' ' ARG . 26.9 m -112.22 106.56 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG11 ' CG2' ' A' ' 64' ' ' THR . 5.4 p -59.01 116.68 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.18 78.92 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.89 105.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.457 ' CB ' ' HB2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -67.99 163.02 23.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -46.44 -26.8 0.92 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -165.28 42.23 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.005 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.457 ' HB2' ' CB ' ' A' ' 38' ' ' GLU . 8.7 m-85 -159.03 -176.96 6.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 42' ' ' LEU . 2.8 mm? -126.56 95.91 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -107.37 133.74 51.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.29 104.94 10.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.329 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.479 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 5.2 ttm180 -76.95 110.55 11.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.152 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -96.97 111.41 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 32' ' ' VAL . 2.8 tt0 -106.96 133.79 51.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.506 ' OE1' ' CE2' ' A' ' 31' ' ' TRP . 29.3 tp60 -87.5 125.65 34.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.344 1.027 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.496 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -152.94 170.43 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.87 99.03 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 24.1 m -140.52 136.64 16.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -74.98 138.24 22.83 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' HB3' ' CD2' ' A' ' 18' ' ' HIS . 2.1 mp -93.93 116.35 28.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.407 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -122.3 61.47 0.55 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.549 1.156 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.637 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.8 OUTLIER 153.97 134.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 0.792 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.92 48.33 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.47 -146.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 33.0 mtt180 -135.58 60.83 39.68 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.375 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.467 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -74.94 -90.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.52 1.8 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 64' ' ' THR . 12.6 p -44.89 -26.33 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.473 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 6.0 m170 -60.57 -49.68 76.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.81 -9.25 32.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -89.4 -63.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.459 ' CG2' HG11 ' A' ' 35' ' ' VAL . 45.3 m -74.66 -60.34 2.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 110.418 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 p 68.1 39.94 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 110.014 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -130.88 -60.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 3.8 mp -66.06 141.01 97.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.674 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.05 171.38 18.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.46 HD12 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -76.52 -21.16 56.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.529 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 2.6 tmm? -158.52 143.97 16.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.483 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -109.22 154.36 22.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 108.037 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -135.81 96.41 3.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.587 ' HA ' ' CD1' ' A' ' 79' ' ' TYR . 1.8 tp -44.53 125.86 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.583 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -125.91 -178.99 0.8 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.561 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -74.94 176.46 9.86 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.451 1.764 . . . . 0.0 111.003 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 52.0 mm-40 66.88 17.6 10.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 59.82 50.76 6.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.441 ' CB ' HD22 ' A' ' 86' ' ' LEU . 16.7 mtt180 -141.68 158.9 43.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.603 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.3 m-30 -111.25 127.67 55.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.583 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -99.76 117.01 33.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 83' ' ' ASN . 6.6 p30 -90.73 -179.93 5.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -99.76 1.76 43.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.5 t-20 -79.14 -2.64 41.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER 84.75 35.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.088 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 84' ' ' SER . 1.1 mtt180 -142.07 162.7 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.441 HD22 ' CB ' ' A' ' 78' ' ' ARG . 0.8 OUTLIER -125.4 113.16 17.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.674 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 7.7 m95 -86.29 140.09 30.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 108.078 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.7 tt0 -97.32 122.79 40.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.603 HD11 ' CD1' ' A' ' 79' ' ' TYR . 5.8 mm -63.47 92.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.89 -44.37 66.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.643 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.07 142.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.622 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.657 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 21.3 t-80 -140.52 113.28 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.607 HD11 ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -159.25 -176.72 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.612 ' CB ' HG22 ' A' ' 8' ' ' VAL . 2.5 ttm -110.0 124.06 50.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.068 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.9 t -124.17 132.99 70.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.35 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 49.7 37.98 14.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.379 1.049 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 68.88 25.21 75.43 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.62 130.6 56.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.431 ' HG2' HG11 ' A' ' 8' ' ' VAL . 7.5 mt-30 -79.97 115.03 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.469 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 33.8 tt0 -109.56 107.77 17.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.521 ' CD1' ' HD2' ' A' ' 12' ' ' PRO . 2.0 tt -102.6 122.06 43.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.643 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.6 mt -98.26 125.96 43.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 79' ' ' TYR . 23.3 mt -116.58 125.8 52.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -114.98 128.22 56.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 109.225 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.646 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 32.6 tp -108.18 127.92 54.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 106' ' ' LEU . 5.1 mp -89.81 152.61 46.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 149.98 37.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.431 1.753 . . . . 0.0 111.032 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -85.89 109.84 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.36 136.39 5.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.07 153.2 51.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.227 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.26 129.18 2.77 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.9 35.94 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 114' ' ' ILE . . . -147.82 94.94 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.571 1.169 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.461 ' C ' ' O ' ' A' ' 113' ' ' GLY . 8.5 tp 35.88 87.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.439 0.729 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.52 ' O ' ' CD2' ' A' ' 115' ' ' HIS . 33.8 p-80 -95.05 88.06 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.61 140.4 26.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 t -168.68 -63.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.42 122.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 110.972 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.08 148.66 17.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.78 120.41 4.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -71.42 155.18 40.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.78 . . . . 0.0 110.305 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.99 149.07 7.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.88 168.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.14 -63.65 1.31 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.72 141.67 9.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.807 . . . . 0.0 109.316 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.06 173.41 14.55 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.471 1.774 . . . . 0.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.2 Cg_endo -75.02 96.56 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -43.72 -27.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.809 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -155.02 148.59 25.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 66.9 mt -128.04 147.15 50.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.809 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.8 m0 -130.7 111.02 11.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 107.985 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.625 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 7.0 p -71.17 120.11 18.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.404 1.065 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.537 ' CD2' ' HB3' ' A' ' 53' ' ' LEU . 1.6 t60 -114.97 -33.27 5.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.625 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.57 157.31 43.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 0.6 OUTLIER -52.75 112.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.299 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 73.73 29.38 63.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.587 1.18 . . . . 0.0 111.068 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 2.0 mp -134.31 151.98 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.625 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 14.0 m-85 -148.97 150.01 32.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 16' ' ' TRP . 2.2 ttp180 -105.07 132.88 50.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' ARG . 14.0 t0 -80.16 178.98 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.553 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 11.5 tt0 -92.95 23.97 3.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -150.47 30.46 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 65.57 42.35 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.343 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -117.84 115.18 24.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.9 p -76.82 145.74 38.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.454 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' TYR . 59.6 m95 -129.22 159.13 37.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 108.009 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.508 ' CG2' HD13 ' A' ' 49' ' ' ILE . 2.1 t -126.36 101.35 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -87.83 119.96 28.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 45' ' ' ARG . 98.6 t -111.32 99.7 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.7 p -62.23 120.9 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -145.22 96.32 2.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.09 . . . . 0.0 110.329 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 12.3 pt-20 -70.95 133.01 46.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 41' ' ' PHE . 6.9 mt-10 -141.96 142.65 33.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.488 HG23 ' CE2' ' A' ' 41' ' ' PHE . 99.9 m 53.01 25.1 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.455 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 m 76.92 42.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.488 ' CE2' HG23 ' A' ' 39' ' ' THR . 24.6 m-85 -127.62 179.59 5.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.974 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 42' ' ' LEU . 2.2 mm? -125.51 90.73 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 24.8 ttm180 -102.08 126.28 48.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.44 84.96 2.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.517 ' CD ' ' OE2' ' A' ' 100' ' ' GLU . 6.3 ttm180 -60.47 108.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.153 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 101' ' ' LEU . 1.4 t -96.5 115.72 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.505 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.1 tt0 -111.47 126.9 55.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.068 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.462 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 1.1 tm0? -85.5 119.4 25.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.53 HG22 ' CG2' ' A' ' 98' ' ' VAL . 0.3 OUTLIER -154.48 160.85 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.08 114.3 25.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.1 p -153.28 139.04 11.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 126.1 9.75 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.449 1.763 . . . . 0.0 110.964 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.537 ' HB3' ' CD2' ' A' ' 18' ' ' HIS . 4.6 mt -68.81 112.56 5.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.12 -95.28 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.445 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 4.5 m-20 -77.26 -174.43 3.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.4 56.91 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.65 -148.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.53 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 29.5 mtt180 -138.3 57.78 13.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.2 Cg_endo -75.01 -30.29 7.3 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.569 1.826 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.1 OUTLIER -76.57 -43.63 38.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.58 ' CE1' ' CD2' ' A' ' 69' ' ' LEU . 8.0 m170 -66.92 -29.98 70.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 109.61 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 mt -80.4 -37.84 31.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 tp -81.31 -70.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 60' ' ' SER . 1.8 m -71.13 -58.83 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 5.6 p 63.54 57.38 1.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -135.76 -54.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 3.8 mp -69.41 138.37 88.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.664 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.99 175.12 11.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.525 1.803 . . . . 0.0 111.053 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.58 ' CD2' ' CE1' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -81.0 -22.89 39.07 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.609 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -154.97 142.16 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.505 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -108.44 157.71 18.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' MET . 1.9 tp60 -137.68 103.47 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.507 HD12 ' CE1' ' A' ' 79' ' ' TYR . 10.4 tp -54.12 113.63 1.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.575 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.76 -178.73 0.76 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.532 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.03 173.18 14.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.437 1.756 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.6 OUTLIER 79.0 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.416 1.072 . . . . 0.0 110.311 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.567 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 43.4 tt0 171.5 48.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.487 ' HB3' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -145.49 166.51 25.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.581 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-85 -115.42 135.24 54.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.575 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -106.01 127.32 53.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 81' ' ' ASP . 36.2 p30 -93.6 -174.33 3.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.62 -3.12 18.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.525 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.1 t-20 -80.73 -3.46 50.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 1.1 t 87.79 39.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.432 ' CB ' HD11 ' A' ' 105' ' ' LEU . 29.2 mtt180 -143.34 149.26 37.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.503 ' CD2' ' HB2' ' A' ' 80' ' ' MET . 1.0 OUTLIER -114.48 120.57 40.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.664 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 8.5 m95 -95.71 135.09 37.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 104' ' ' LYS . 1.3 tt0 -91.81 125.08 36.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.581 HD11 ' CD1' ' A' ' 79' ' ' TYR . 8.6 mm -64.15 85.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 109.322 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.412 ' CG ' ' HB2' ' A' ' 104' ' ' LYS . 2.8 mm-40 -47.43 -46.98 26.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.604 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -172.96 137.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.592 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 22.4 t-80 -132.93 114.37 13.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 109.604 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.569 ' CD2' ' CD2' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -152.95 -171.22 3.86 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 5.3 ttm -127.89 133.51 49.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 98' ' ' VAL . 44.9 t -134.47 138.07 50.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.6 mmp_? 48.34 38.3 10.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.9 24.84 74.36 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.53 ' CG2' HG22 ' A' ' 49' ' ' ILE . 2.1 t -128.95 132.04 67.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -84.57 117.48 23.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.517 ' OE2' ' CD ' ' A' ' 45' ' ' ARG . 2.2 tt0 -109.06 103.21 12.18 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 46' ' ' VAL . 3.3 tt -101.33 120.87 40.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.591 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.1 mt -97.7 122.39 40.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.537 ' O ' ' HA ' ' A' ' 43' ' ' ARG . 21.9 mt -111.95 126.53 55.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 88' ' ' GLN . 1.2 tppt? -116.92 125.2 51.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.614 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 31.8 tp -103.41 112.37 25.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.41 ' H ' ' CD2' ' A' ' 106' ' ' LEU . 2.4 pt? -91.88 158.65 39.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.11 11.2 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 89.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -141.77 153.48 44.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -136.39 153.63 51.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 t 45.95 82.43 0.23 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 164.76 32.7 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -172.29 62.32 0.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 16.3 mm -100.9 111.94 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.794 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -140.58 120.65 13.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.618 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.83 141.89 58.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.078 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.25 113.62 16.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 177.54 130.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.75 106.59 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 144.04 109.02 0.65 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -172.35 155.0 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -154.66 149.3 26.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 t -67.17 170.68 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.95 -54.5 0.91 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.456 1.097 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.25 132.58 4.35 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.462 0.743 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -74.99 172.63 15.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.568 1.825 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.524 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.2 Cg_endo -75.07 92.14 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.464 1.771 . . . . 0.0 111.034 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.488 ' HA ' ' CB ' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -43.5 -26.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.802 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -150.23 148.07 28.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.621 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.498 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 62.3 mt -130.63 147.24 52.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.802 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.2 m0 -131.8 110.23 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.018 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.576 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 9.8 p -70.32 119.09 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.488 ' CD2' ' HB3' ' A' ' 53' ' ' LEU . 1.8 t60 -113.7 -27.58 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.05 159.34 42.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -54.21 111.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 110.384 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 73.5 22.85 78.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.2 mp -127.67 142.82 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.0 m-85 -137.84 155.32 49.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 111.023 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -110.32 129.85 55.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.476 ' CB ' ' HB2' ' A' ' 29' ' ' ARG . 21.4 t0 -80.74 177.09 9.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.39 21.18 4.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -144.4 28.7 1.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 63.71 46.07 4.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.476 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -125.66 114.35 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.358 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.437 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 5.4 p -74.98 142.7 43.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.426 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.524 ' CE2' ' HG3' ' A' ' 12' ' ' PRO . 49.8 m95 -122.09 153.95 37.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.541 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.1 t -116.44 100.55 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.506 ' HB1' ' CD2' ' A' ' 67' ' ' LEU . . . -86.51 103.78 15.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.3 t -93.54 84.6 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -47.46 110.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.247 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.21 92.64 3.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.078 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.73 112.84 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -70.01 161.51 29.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.7 m -47.59 -31.94 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.079 . . . . 0.0 110.359 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.27 39.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.404 ' CB ' ' HE3' ' A' ' 104' ' ' LYS . 8.9 m-85 -161.29 179.99 7.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.427 HD21 ' N ' ' A' ' 42' ' ' LEU . 3.9 mm? -118.96 115.62 24.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -121.09 129.14 53.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.91 93.67 4.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -69.58 107.38 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 1.4 t -95.75 111.81 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -107.72 130.25 54.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.478 ' NE2' ' CD1' ' A' ' 31' ' ' TRP . 0.3 OUTLIER -88.02 121.21 30.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.342 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.511 HD13 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -150.24 163.92 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.466 HE21 ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -96.25 93.22 6.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.336 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.6 m -136.47 140.14 31.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 136.96 21.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.488 ' HB3' ' CD2' ' A' ' 18' ' ' HIS . 1.2 mp -81.45 114.07 19.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.581 1.176 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.85 -103.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 32.4 m-20 -77.3 -176.39 4.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.87 63.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.411 ' C ' ' HD3' ' A' ' 59' ' ' PRO . . . -112.6 -138.81 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.41 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 1.9 mtm180 -131.45 63.62 70.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.411 ' HD3' ' C ' ' A' ' 57' ' ' ALA . 17.9 Cg_endo -74.99 -77.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.466 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -63.48 -29.98 71.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.924 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.494 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.2 m170 -58.4 -28.67 65.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.608 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.44 -30.01 8.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -75.31 -58.75 3.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 60' ' ' SER . 16.7 m -72.77 -66.1 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.406 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.7 p 71.03 38.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.059 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -125.78 -63.11 1.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 110.244 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.506 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 3.9 mp -65.23 140.66 97.95 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.675 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.5 Cg_endo -74.88 164.46 33.44 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.451 HD12 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -72.27 -17.93 61.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.524 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 1.9 tmm? -160.92 143.98 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.504 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -109.84 154.56 22.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 80' ' ' MET . 2.8 tp60 -133.86 97.02 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 79' ' ' TYR . 13.5 tp -46.86 117.85 1.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.581 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -102.59 -179.15 0.74 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.01 165.6 30.95 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 2.8 tt0 82.4 -76.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.553 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 2.2 tt0 168.43 50.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.439 ' HD2' ' CD1' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -142.05 161.13 38.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.589 ' CD1' HD13 ' A' ' 89' ' ' ILE . 2.3 m-85 -115.19 119.32 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.581 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -93.31 129.43 39.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 5.3 p30 -100.09 177.73 5.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -98.67 1.47 46.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 84' ' ' SER . 19.3 t-20 -79.87 -5.4 55.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 1.8 t 88.47 32.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 109.977 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.435 ' CB ' HD11 ' A' ' 105' ' ' LEU . 2.3 mtt180 -137.48 156.1 48.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.439 ' CD1' ' HD2' ' A' ' 78' ' ' ARG . 2.4 tm? -119.78 117.22 27.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.675 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 9.8 m95 -91.31 139.5 30.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 107.996 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.575 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.7 tt0 -99.88 120.79 40.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.589 HD13 ' CD1' ' A' ' 79' ' ' TYR . 8.8 mm -60.43 95.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.394 1.059 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -52.78 -47.45 67.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.616 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -173.55 135.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.617 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 24.5 t-80 -127.43 115.67 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.612 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -150.55 177.57 9.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.492 ' CE ' ' HG3' ' A' ' 99' ' ' GLN . 5.5 ttm -128.08 139.42 52.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 111.028 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 98' ' ' VAL . 77.1 t -145.64 141.85 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 47.5 39.09 8.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.36 26.12 72.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.482 ' CG1' ' OE1' ' A' ' 47' ' ' GLN . 2.0 t -128.81 132.77 67.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.492 ' HG3' ' CE ' ' A' ' 94' ' ' MET . 6.2 mt-30 -97.44 118.07 33.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 110.307 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -108.07 104.38 13.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.54 ' HG ' ' CD2' ' A' ' 92' ' ' HIS . 2.2 tt -100.17 120.13 39.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.616 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.5 mt -96.35 120.37 36.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.222 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 79' ' ' TYR . 14.8 mt -110.7 130.9 55.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.575 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -119.27 131.31 55.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.614 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 24.7 tp -110.19 123.58 50.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -82.99 145.02 48.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 128.19 11.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.548 1.815 . . . . 0.0 111.032 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -75.26 80.27 2.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -173.84 139.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.398 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.87 153.3 51.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.92 101.67 0.13 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 135.95 19.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -118.67 -159.83 11.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.2 mt -138.29 150.59 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.246 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -168.87 131.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.682 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -147.37 132.5 18.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.366 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -61.44 176.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.2 tpt -169.75 87.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.25 157.72 12.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.8 -135.71 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -170.18 156.44 5.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.78 . . . . 0.0 110.299 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.92 140.72 48.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.226 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.407 HG21 ' CB ' ' A' ' 94' ' ' MET . 14.1 t -46.6 171.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.47 -59.63 0.87 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 110.956 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.02 141.85 9.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.314 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.559 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.01 173.87 13.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.519 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.1 Cg_endo -75.07 93.85 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -41.64 -30.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.742 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -150.6 148.33 28.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.594 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.498 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 59.5 mt -128.9 147.57 50.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.742 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.0 m0 -131.74 111.65 11.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 107.941 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.6 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 8.0 p -71.43 120.1 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 55' ' ' ASP . 1.8 t-160 -116.2 -34.31 4.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.58 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.595 ' NE2' ' H ' ' A' ' 54' ' ' GLY . 1.0 OUTLIER -128.24 161.25 29.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.449 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 13.2 tt0 -54.94 111.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 71.96 27.96 69.54 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.449 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 2.2 mp -128.25 157.76 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.0 m-85 -154.06 148.06 25.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -104.17 131.68 51.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -80.82 178.84 8.13 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.424 1.078 . . . . 0.0 109.339 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.481 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 14.4 pt-20 -91.73 19.01 6.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.481 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 16.1 m-85 -147.18 38.31 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 57.79 44.2 20.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -120.27 113.79 20.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.2 p -77.8 143.18 38.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.519 ' CE2' ' HG3' ' A' ' 12' ' ' PRO . 58.5 m95 -126.57 157.68 38.21 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.1 t -124.83 98.46 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.19 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -84.53 111.36 19.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 69.2 t -100.31 98.52 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.47 124.12 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -159.46 99.51 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' CB ' ' O ' ' A' ' 41' ' ' PHE . 2.3 pm0 -50.23 156.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.266 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.437 ' O ' ' HB ' ' A' ' 39' ' ' THR . 1.3 mm-40 -110.44 61.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.471 ' O ' ' CB ' ' A' ' 40' ' ' SER . 24.8 m 73.8 -6.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 39' ' ' THR . 0.6 OUTLIER 161.57 53.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.046 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.412 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 3.5 m-85 -159.34 -178.09 6.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 66' ' ' GLN . 3.8 mm? -124.81 84.27 2.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.488 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 7.1 ttp180 -97.8 116.53 30.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -109.23 87.13 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -63.82 106.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 1.3 t -93.26 110.43 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.0 OUTLIER -108.61 127.05 53.62 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.453 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 1.3 tm0? -85.44 120.31 26.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.286 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -154.32 163.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.44 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -87.69 114.07 23.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -154.71 134.37 7.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 113.92 3.9 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.768 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.589 ' HB3' ' CD2' ' A' ' 18' ' ' HIS . 0.5 OUTLIER -59.19 107.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.595 ' H ' ' NE2' ' A' ' 19' ' ' GLN . . . -61.74 -110.74 0.01 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.617 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 8.3 t0 -74.02 -177.51 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 0.723 . . . . 0.0 109.338 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -144.29 54.96 1.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.05 -143.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.504 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 2.6 mtt-85 -136.01 59.49 28.68 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.504 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.1 Cg_endo -75.08 -37.07 2.15 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.502 1.791 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.48 21.4 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.427 ' O ' ' CA ' ' A' ' 65' ' ' SER . 8.8 m-70 -133.37 -47.2 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -49.42 14.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.17 -61.44 1.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.5 m -72.48 -65.0 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.36 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.427 ' CA ' ' O ' ' A' ' 61' ' ' HIS . 5.2 p 65.83 40.18 4.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.471 ' CG ' HD11 ' A' ' 42' ' ' LEU . 58.9 mt-30 -126.35 -60.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.469 ' CD1' ' N ' ' A' ' 67' ' ' LEU . 3.8 mp -67.05 141.87 96.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.652 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -75.05 169.02 23.52 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.513 1.797 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -74.91 -22.4 58.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.585 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 2.3 ttt -157.75 144.01 17.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.51 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.6 m0 -109.05 155.38 20.99 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -136.7 95.68 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.557 HD12 ' CE1' ' A' ' 79' ' ' TYR . 11.6 tp -46.81 116.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.597 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -102.46 -177.74 0.58 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.05 -176.88 3.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.2 OUTLIER 70.31 -79.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.539 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 6.7 tt0 167.15 54.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.442 ' CB ' HD22 ' A' ' 86' ' ' LEU . 26.5 mtt85 -153.47 164.6 37.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.587 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-30 -111.65 125.62 54.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 111.027 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.597 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -100.77 116.1 31.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 111.032 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -87.02 -173.24 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -106.97 1.91 24.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.8 t-20 -82.53 1.21 39.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.7 OUTLIER 81.68 40.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -144.26 160.97 40.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.442 HD22 ' CB ' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -126.87 111.18 13.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.652 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 8.4 m95 -86.22 135.45 33.56 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.585 1.178 . . . . 0.0 107.918 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 104' ' ' LYS . 1.8 tt0 -93.76 118.33 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.256 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.587 HD11 ' CD1' ' A' ' 79' ' ' TYR . 9.6 mm -58.85 90.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -45.77 52.89 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.608 ' CE1' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.48 140.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.585 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 22.5 t-80 -135.77 113.93 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.576 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.477 ' CD2' ' CD2' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -153.65 -171.37 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.357 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.407 ' CB ' HG21 ' A' ' 8' ' ' VAL . 3.7 ttm -121.57 129.11 52.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' VAL . 39.7 t -132.74 138.76 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 47.41 39.85 9.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.13 26.48 71.53 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 95' ' ' VAL . 2.2 t -133.61 132.84 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -83.89 115.62 22.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 33.1 tt0 -107.53 107.31 18.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' A' ' 92' ' ' HIS . 2.0 tt -101.88 121.98 43.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.608 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 2.9 mt -97.73 122.93 41.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.488 ' O ' ' HA ' ' A' ' 43' ' ' ARG . 16.7 mt -113.9 127.54 56.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.362 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -117.05 127.27 53.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.603 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 21.6 tp -107.1 115.96 31.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mt -95.58 156.51 37.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 154.7 42.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.797 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.54 153.45 50.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 50.9 t0 62.84 91.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.376 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.18 153.28 51.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.23 111.22 3.67 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 160.36 40.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.85 107.23 0.46 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 tp -79.86 110.07 15.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.732 . . . . 0.0 109.233 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.51 87.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.641 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.46 144.88 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.932 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.44 73.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.968 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.4 ptm -146.52 108.74 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.04 157.38 28.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.21 60.49 2.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.103 . . . . 0.0 111.018 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -63.67 157.9 22.86 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 0.743 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.8 153.37 24.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 9' ' ' GLY . 97.2 t -52.17 167.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.453 ' N ' ' CG1' ' A' ' 8' ' ' VAL . . . -94.06 -60.39 1.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.26 139.42 11.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 109.239 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.697 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.93 174.02 13.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.444 1.76 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.524 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -74.99 96.5 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.568 1.825 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -43.77 -28.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.793 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -152.89 149.49 28.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.589 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.512 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 70.1 mt -129.57 145.82 51.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.793 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.3 m0 -130.44 110.87 11.79 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.571 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 7.2 p -71.9 121.18 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 55' ' ' ASP . 1.7 t-160 -118.5 -33.3 4.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 109.595 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -124.44 165.32 17.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.29 109.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.1 30.11 65.78 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.436 1.085 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 23' ' ' TYR . 1.1 mp -125.51 160.63 31.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 109.263 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.0 m-85 -155.35 142.71 19.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -99.17 132.6 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 23.6 t0 -84.54 178.62 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -89.78 24.63 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.538 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 11.4 m-85 -156.34 48.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.158 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.538 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 12.4 pt20 48.38 42.51 18.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.342 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.8 110.73 18.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.44 ' CG2' HD22 ' A' ' 53' ' ' LEU . 2.1 p -78.84 140.25 38.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.632 ' CH2' ' HG3' ' A' ' 99' ' ' GLN . 49.8 m95 -122.68 155.92 35.44 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.545 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.1 t -122.95 95.19 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -79.58 105.35 10.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.7 t -93.68 92.06 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.17 111.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.71 100.6 4.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -68.58 145.82 53.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.249 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.51 153.18 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.4 m 53.28 36.81 23.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.376 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.7 p 55.75 38.83 30.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.079 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -139.6 174.57 10.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -115.31 102.88 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 25.2 ttp85 -104.26 117.68 34.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -108.34 90.44 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.407 ' HD3' ' OE2' ' A' ' 100' ' ' GLU . 3.6 ttm180 -68.13 107.48 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 1.7 t -95.09 111.3 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.4 tt0 -114.3 130.29 56.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.436 ' NE2' ' C ' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -87.77 125.83 34.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.356 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.504 HD12 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -148.74 161.85 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.442 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.9 OUTLIER -81.16 110.25 16.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.442 ' CG1' ' O ' ' A' ' 50' ' ' GLN . 21.3 m -156.43 131.99 5.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -74.99 145.18 31.16 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 111.041 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.44 HD22 ' CG2' ' A' ' 30' ' ' THR . 1.2 mm? -69.45 117.13 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -132.16 113.29 1.28 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.605 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 4.5 m-20 80.01 137.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.368 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.35 50.9 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.0 -146.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.474 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 62.7 mtt-85 -134.55 60.88 45.54 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 18.4 Cg_endo -74.94 -63.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.469 1.773 . . . . 0.0 110.998 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -84.77 13.77 5.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.992 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -104.84 -30.21 10.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.604 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -114.53 -32.88 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' PRO . 4.5 tt -72.03 -49.42 36.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.387 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m -77.97 -65.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.406 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 p 70.54 36.74 1.61 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.398 1.061 . . . . 0.0 110.024 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -128.77 -65.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 4.2 mp -65.91 140.34 97.14 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.623 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.92 172.45 16.31 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.441 1.758 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.74 -22.34 46.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.563 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -156.43 141.92 17.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.505 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -108.17 158.81 17.11 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.408 ' NE2' ' HE3' ' A' ' 70' ' ' MET . 2.2 tp60 -140.7 101.69 4.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 0.0 110.25 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.433 ' HA ' ' CD1' ' A' ' 79' ' ' TYR . 3.7 tp -51.04 121.37 5.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.582 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -109.04 -177.17 0.45 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.582 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.99 -177.73 3.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.567 1.825 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 1.0 OUTLIER 70.56 -77.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 76' ' ' GLU . 6.5 pt-20 164.65 50.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -147.86 161.25 41.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.575 ' CD1' HD12 ' A' ' 89' ' ' ILE . 2.3 m-30 -107.89 125.81 51.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.573 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -100.52 115.26 29.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' A' ' 81' ' ' ASP . 33.8 p30 -82.78 -174.79 5.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -107.91 -3.06 19.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 84' ' ' SER . 36.7 t30 -80.08 -3.01 46.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 88.3 39.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.059 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -142.68 151.85 41.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.107 . . . . 0.0 110.283 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' ' 87' ' ' TRP . 1.0 OUTLIER -119.78 115.1 23.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.623 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 8.6 m95 -90.55 137.98 31.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 108.063 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 90' ' ' GLN . 4.6 tt0 -94.19 118.87 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.575 HD12 ' CD1' ' A' ' 79' ' ' TYR . 10.3 mm -57.33 89.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.4 OUTLIER -48.95 -46.96 44.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.605 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -173.18 139.65 0.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.649 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.697 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 24.8 t-80 -135.62 112.28 10.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.616 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.93 -172.44 4.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.412 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 2.3 ttm -110.44 124.16 51.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 98' ' ' VAL . 14.9 t -125.62 129.5 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 48.28 37.34 8.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.245 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 68.37 24.63 74.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.501 ' CG1' ' HG3' ' A' ' 47' ' ' GLN . 2.2 t -133.22 108.84 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.439 0.729 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.632 ' HG3' ' CH2' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -61.15 112.82 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 31.1 tt0 -105.83 117.61 34.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' A' ' 92' ' ' HIS . 2.0 tt -107.27 122.96 47.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.365 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.588 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 3.0 mt -99.71 122.5 42.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.482 HD12 ' CE2' ' A' ' 71' ' ' TRP . 21.4 mt -111.83 130.46 55.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.34 119.14 32.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.609 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 13.2 tp -95.57 118.89 33.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.52 159.79 29.63 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.606 1.191 . . . . 0.0 109.312 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 123.56 8.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -40.14 109.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.55 139.37 35.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.82 152.31 50.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.2 t 64.96 127.05 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 115.58 4.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.444 1.76 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 114' ' ' ILE . . . -138.31 -61.43 0.05 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 113' ' ' GLY . 0.6 OUTLIER 38.95 75.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 109.32 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -75.82 107.28 7.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.608 1.192 . . . . 0.0 109.547 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -65.16 151.2 46.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.946 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 3' ' ' MET . 44.5 t -121.72 -41.25 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.985 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.465 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 78.43 82.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.943 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 162.22 10.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.66 -132.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 7' ' ' ASP . 2.1 tp10 -159.23 138.5 11.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.269 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.424 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 26.5 m-20 -87.85 167.48 13.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 t -42.32 162.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.33 -66.25 1.62 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.32 141.27 8.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.577 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.03 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.783 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.477 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.6 Cg_endo -74.91 94.69 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -42.82 -28.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.787 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.24 149.38 29.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.492 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 63.5 mt -130.36 147.1 52.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.787 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.0 m0 -131.55 110.61 11.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.603 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.9 p -70.17 118.64 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.287 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.498 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 1.4 t60 -113.89 -32.06 6.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.03 156.21 44.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -54.24 110.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 76.03 29.32 59.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.127 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mp -136.41 154.37 32.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.4 m-85 -148.05 151.52 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.81 133.81 49.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.1 -176.72 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -96.87 17.08 17.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -142.86 30.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 65.44 43.65 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' HG2' ' NE2' ' A' ' 48' ' ' GLN . 3.0 mtt-85 -119.63 115.84 24.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 12.1 p -78.04 146.19 35.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 110.334 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.534 ' N ' ' O ' ' A' ' 23' ' ' TYR . 59.2 m95 -128.94 157.47 41.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 107.996 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.49 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -122.47 96.67 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.529 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . . . -82.22 111.18 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.1 t -100.24 85.27 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.452 ' CG2' HD12 ' A' ' 67' ' ' LEU . 11.9 p -52.8 108.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -116.38 88.98 3.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -48.02 120.54 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -80.29 162.67 24.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.7 m -49.44 -36.15 21.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.42 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.78 39.49 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.187 . . . . 0.0 109.99 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -163.86 -172.49 2.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.0 mt -126.38 128.53 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 11.6 ttp85 -130.3 125.7 35.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.01 88.11 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -66.81 108.2 2.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.281 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -95.54 111.15 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.459 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.1 tt0 -108.02 128.01 54.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.493 ' OE1' ' CE2' ' A' ' 31' ' ' TRP . 12.1 tp60 -86.67 121.98 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.366 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.51 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -155.49 161.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -89.22 105.86 18.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.4 m -143.59 142.21 20.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 131.01 13.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mt -75.86 113.29 13.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.94 -108.24 0.18 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.498 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 0.6 OUTLIER -65.53 -175.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.259 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -160.01 64.45 0.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.06 -141.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.528 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 2.8 mtt180 -136.62 58.14 18.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -74.92 -42.69 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.783 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 64' ' ' THR . 9.9 p -65.17 -40.89 94.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.472 ' O ' ' CB ' ' A' ' 65' ' ' SER . 11.1 m170 -70.91 -30.59 66.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 tt -80.85 -38.59 27.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.86 -69.43 0.6 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' SER . 1.0 OUTLIER -72.67 -59.46 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.407 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 5.1 p 65.07 52.96 1.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -133.35 -56.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.529 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 3.9 mp -66.06 142.53 98.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.623 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.0 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.507 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -85.92 -4.92 59.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.711 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 3.6 ttp -173.76 139.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.459 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.8 m0 -108.36 155.55 20.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 108.057 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -137.71 98.07 3.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.467 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 11.8 tp -49.36 112.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.74 -177.45 0.61 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.91 169.56 22.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER 82.92 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.6 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 1.1 tt0 164.48 56.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -152.67 165.67 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.573 ' CD1' HD13 ' A' ' 89' ' ' ILE . 2.3 m-30 -114.56 126.64 55.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.559 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 1.3 ttt -99.56 121.73 41.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.486 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 26.2 p-10 -74.66 -168.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -117.11 -1.04 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.633 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.0 t-20 -81.39 -50.95 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 3.5 t 146.91 41.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.48 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 7.5 mtm-85 -148.08 160.17 43.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 87' ' ' TRP . 1.5 tt -124.14 118.63 27.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.372 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.636 ' CD2' ' HB2' ' A' ' 105' ' ' LEU . 8.2 m95 -91.18 137.9 32.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 108.052 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.8 tt0 -95.12 125.88 40.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.573 HD13 ' CD1' ' A' ' 79' ' ' TYR . 5.6 mm -65.05 92.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -45.6 70.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.6 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -171.99 141.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.657 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 22.6 t-80 -137.72 114.13 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.4 -170.76 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.2 ttm -130.12 130.48 44.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.5 t -135.28 140.3 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 47.53 39.78 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.32 26.11 71.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.459 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.2 t -129.94 133.82 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -91.18 114.68 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.445 ' HG2' ' CD2' ' A' ' 102' ' ' LEU . 31.2 tt0 -105.69 106.56 17.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.501 ' HG ' ' CD2' ' A' ' 92' ' ' HIS . 2.0 tt -102.14 122.41 44.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.6 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 2.9 mt -98.74 124.46 43.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.503 HD23 ' CD1' ' A' ' 89' ' ' ILE . 10.0 mt -113.75 130.63 56.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.0 tppt? -119.72 124.68 46.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.636 ' HB2' ' CD2' ' A' ' 87' ' ' TRP . 47.2 tp -102.53 136.1 42.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.14 160.18 61.09 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 108' ' ' ASP . 18.4 Cg_endo -74.94 73.72 4.2 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 107' ' ' PRO . 21.9 t0 40.12 90.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.0 OUTLIER -38.89 119.52 0.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 109' ' ' ASP . 1.7 mtt-85 -35.11 129.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.1 131.1 59.64 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 141.46 26.54 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -131.87 136.43 8.77 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.2 tt -60.96 99.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.335 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -88.62 113.04 23.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.614 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.88 99.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.242 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.783 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.6 Cg_endo -74.91 94.69 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 3.4 t70 -42.82 -28.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.787 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.24 149.38 29.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.492 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 63.5 mt -130.36 147.1 52.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.787 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.0 m0 -131.55 110.61 11.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.602 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.9 p -70.17 118.64 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.287 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -113.89 -32.06 6.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.607 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.03 156.21 44.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -54.24 110.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 76.03 29.32 59.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.127 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.1 mp -136.41 154.37 32.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.602 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.4 m-85 -148.05 151.52 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.81 133.81 49.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.1 -176.72 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -96.87 17.08 17.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -142.86 30.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 65.44 43.65 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.71 ' HB3' HE22 ' A' ' 48' ' ' GLN . 3.0 mtt-85 -119.63 115.84 24.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.1 p -78.04 146.19 35.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 110.334 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.829 ' HB3' HG12 ' A' ' 46' ' ' VAL . 59.2 m95 -128.94 157.47 41.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 107.996 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.915 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -122.47 96.67 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -82.22 111.18 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.699 HG11 ' NH2' ' A' ' 45' ' ' ARG . 65.1 t -100.24 85.27 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 35' ' ' VAL . 11.9 p -52.8 108.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.408 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.1 m-85 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.5 0.19 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 41' ' ' PHE . 13.0 mt -126.38 128.53 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 11.6 ttp85 -130.3 125.7 35.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.01 88.11 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.699 ' NH2' HG11 ' A' ' 34' ' ' VAL . 6.1 ttm180 -66.81 108.2 2.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.281 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.829 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -95.54 111.15 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.523 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.1 tt0 -108.02 128.01 54.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.71 HE22 ' HB3' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -86.67 121.98 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.366 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.915 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -155.49 161.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -89.22 105.86 18.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.921 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -133.35 -56.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.9 mp -66.06 142.53 98.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.0 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.669 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -85.92 -4.92 59.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.709 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 3.6 ttp -173.76 139.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.46 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.8 m0 -108.36 155.55 20.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 108.057 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -137.71 98.07 3.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.777 HD13 ' HE1' ' A' ' 79' ' ' TYR . 11.8 tp -49.36 112.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.74 -177.45 0.61 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.91 169.56 22.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER 82.92 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.6 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 1.1 tt0 164.48 56.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -152.67 165.67 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.777 ' HE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-30 -114.56 126.64 55.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.559 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 1.3 ttt -99.56 121.73 41.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.486 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 26.2 p-10 -74.66 -168.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -117.11 -1.04 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.633 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.0 t-20 -81.39 -50.95 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 3.5 t 146.91 41.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.913 ' HB3' HD11 ' A' ' 105' ' ' LEU . 7.5 mtm-85 -148.08 160.17 43.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 79' ' ' TYR . 1.5 tt -124.14 118.63 27.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.372 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.97 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.2 m95 -91.18 137.9 32.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 108.052 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.8 tt0 -95.12 125.88 40.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.06 HD12 HD21 ' A' ' 101' ' ' LEU . 5.6 mm -65.05 92.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -45.6 70.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.586 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.99 141.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.657 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.402 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . 70.9 t60 -137.72 114.13 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.4 -170.76 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.2 ttm -130.12 130.48 44.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.5 t -135.28 140.3 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 47.53 39.78 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.32 26.11 71.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.523 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.2 t -129.94 133.82 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -91.18 114.68 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.617 ' HG2' HD21 ' A' ' 102' ' ' LEU . 31.2 tt0 -105.69 106.56 17.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.06 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -102.14 122.41 44.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.617 HD21 ' HG2' ' A' ' 100' ' ' GLU . 2.9 mt -98.74 124.46 43.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.736 HD12 HG21 ' A' ' 46' ' ' VAL . 10.0 mt -113.75 130.63 56.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.0 tppt? -119.72 124.68 46.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.97 HD13 ' CD1' ' A' ' 87' ' ' TRP . 47.2 tp -102.53 136.1 42.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 174.54 12.61 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.511 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -74.99 89.76 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.495 1.787 . . . . 0.0 110.942 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.445 ' HA ' ' CB ' ' A' ' 73' ' ' LEU . 35.2 t70 -41.87 -29.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.727 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -147.98 149.61 32.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.558 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.468 HD22 ' HB3' ' A' ' 23' ' ' TYR . 58.6 mt -130.99 148.11 52.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.727 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -132.72 115.14 14.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.6 1.188 . . . . 0.0 108.023 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.843 HG12 HD13 ' A' ' 69' ' ' LEU . 8.2 p -74.13 121.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.343 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -117.02 -36.29 3.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 109.618 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -128.48 161.5 29.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.663 ' O ' HD12 ' A' ' 22' ' ' ILE . 23.3 mt-10 -50.7 113.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 66.06 21.88 70.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.663 HD12 ' O ' ' A' ' 20' ' ' GLU . 1.2 mp -119.63 140.41 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.318 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.583 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.3 m-85 -136.3 152.26 50.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -110.16 132.77 53.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.377 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 26' ' ' GLU . 12.7 t0 -80.55 -176.88 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.491 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 6.1 pt-20 -95.84 19.14 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.258 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -146.43 31.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.396 1.06 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 65.84 41.7 3.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.45 116.05 26.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.49 ' N ' HE22 ' A' ' 48' ' ' GLN . 13.6 p -79.4 145.33 33.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.891 ' HB3' HG12 ' A' ' 46' ' ' VAL . 62.5 m95 -130.67 145.18 51.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 108.017 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.971 ' CG2' HD11 ' A' ' 49' ' ' ILE . 24.4 t -112.67 91.28 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -73.97 105.25 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 34' ' ' VAL . 62.8 t -91.16 76.49 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 p -44.49 111.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.531 ' CE1' HD12 ' A' ' 106' ' ' LEU . 10.5 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.445 0.164 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 41' ' ' PHE . 2.4 mp -114.14 141.87 46.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.476 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 8.6 ttp180 -151.62 117.07 5.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.84 95.77 5.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.419 ' HD3' ' OE2' ' A' ' 100' ' ' GLU . 2.6 ttm180 -70.14 106.17 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.891 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -93.54 104.16 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.61 ' O ' HD13 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -105.04 133.1 50.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.347 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.49 HE22 ' N ' ' A' ' 30' ' ' THR . 24.3 tp60 -87.97 122.88 32.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.971 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -147.47 165.16 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.91 77.9 7.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -129.19 -62.58 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.606 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.4 mp -69.23 142.08 92.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.688 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.5 Cg_endo -74.95 166.39 29.33 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.811 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.843 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.63 -20.63 60.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.594 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 2.9 ttp -159.3 141.03 13.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.488 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -106.54 158.14 17.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 107.974 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -139.6 101.84 4.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.091 . . . . 0.0 110.26 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.628 HD12 ' N ' ' A' ' 74' ' ' TYR . 4.3 tp -48.37 122.34 5.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.628 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -122.79 174.76 3.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.577 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.03 166.45 29.14 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER 80.87 12.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 63.35 53.33 2.2 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.556 ' HB2' HD21 ' A' ' 86' ' ' LEU . 21.9 mtp180 -148.79 155.81 41.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.798 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.4 m-30 -106.32 126.22 51.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.588 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -99.24 117.59 34.04 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.515 1.134 . . . . 0.0 111.042 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.439 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 30.1 p30 -85.52 -172.11 3.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -110.94 -1.84 16.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 84' ' ' SER . 22.3 t30 -80.04 -4.16 51.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.8 OUTLIER 90.2 36.42 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.834 ' HB3' HD11 ' A' ' 105' ' ' LEU . 1.2 mtt85 -144.61 147.9 33.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.369 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 79' ' ' TYR . 1.6 tt -114.98 119.9 38.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.841 ' CD1' HD13 ' A' ' 105' ' ' LEU . 7.6 m95 -91.41 142.53 27.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' LYS . 4.5 tt0 -97.36 124.36 41.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.06 HD12 HD21 ' A' ' 101' ' ' LEU . 20.6 mm -62.74 87.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -48.58 -47.05 39.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.644 ' CD2' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.72 144.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.641 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.429 ' CG ' ' HG ' ' A' ' 101' ' ' LEU . 78.7 t60 -139.94 110.92 6.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.596 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.18 -169.51 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.466 ' HE2' ' C ' ' A' ' 97' ' ' GLY . 4.3 ttm -135.99 132.27 36.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 98' ' ' VAL . 60.2 t -139.35 138.42 40.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 48.38 40.62 15.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.263 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.466 ' C ' ' HE2' ' A' ' 94' ' ' MET . . . 65.73 16.64 63.85 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.552 1.157 . . . . 0.0 111.038 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.476 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.1 t -117.64 134.74 60.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.406 0.709 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -96.94 119.11 34.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.261 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.587 ' HG2' HD21 ' A' ' 102' ' ' LEU . 29.5 tt0 -109.74 105.18 14.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 110.372 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.06 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -101.46 123.79 46.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.644 ' HG ' ' CD2' ' A' ' 91' ' ' HIS . 3.0 mt -98.08 125.54 43.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.769 HD12 HG21 ' A' ' 46' ' ' VAL . 19.8 mt -117.37 124.33 48.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -113.04 128.17 56.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.841 HD13 ' CD1' ' A' ' 87' ' ' TRP . 37.8 tp -107.24 120.11 41.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.531 HD12 ' CE1' ' A' ' 41' ' ' PHE . 3.0 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 173.9 13.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.507 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.5 Cg_endo -74.94 93.84 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -44.92 -26.49 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.796 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.88 148.03 27.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.58 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 68.6 mt -129.96 145.74 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.361 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.796 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -131.01 111.84 12.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.675 HG12 HD13 ' A' ' 69' ' ' LEU . 9.4 p -71.68 119.16 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -113.54 -29.44 7.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.604 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -135.65 158.93 43.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -52.4 111.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.59 21.57 79.48 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 1.1 mp -125.11 140.28 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.583 0.814 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.598 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.1 m-85 -137.25 153.0 50.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.946 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -109.16 132.2 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -80.94 -177.39 6.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 7.6 pt-20 -95.62 24.96 4.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.262 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -150.72 26.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 70.09 41.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.28 115.09 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.435 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 1.6 p -82.22 134.05 35.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 0.0 110.393 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.834 ' HB3' HG12 ' A' ' 46' ' ' VAL . 49.2 m95 -115.55 154.47 29.32 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.842 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.3 t -116.82 93.86 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -79.1 110.77 14.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.412 HG11 ' NH2' ' A' ' 45' ' ' ARG . 73.2 t -99.7 81.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.1 p -47.11 109.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.656 ' C ' HD22 ' A' ' 42' ' ' LEU . 12.0 m-85 . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.435 0.16 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.656 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.7 mm? -121.92 97.89 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 19.3 ttp180 -104.76 125.08 50.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.63 92.54 3.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.412 ' NH2' HG11 ' A' ' 34' ' ' VAL . 5.0 ttm180 -67.99 109.34 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.834 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.5 t -98.16 111.95 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.379 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.633 ' HG2' HD12 ' A' ' 49' ' ' ILE . 2.4 tt0 -108.26 130.38 55.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 30' ' ' THR . 6.3 tp-100 -87.11 124.79 33.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.842 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -153.05 161.44 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -93.18 94.0 8.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.278 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -117.43 -60.28 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.243 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.544 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.8 mp -66.01 141.49 97.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.643 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -74.94 171.33 18.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.073 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.675 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -77.39 -17.6 58.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.493 ' HG2' ' N ' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -162.01 145.74 12.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.493 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.6 m0 -111.53 154.44 24.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' MET . 3.2 tp60 -134.12 96.19 3.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.907 HD13 ' CE1' ' A' ' 79' ' ' TYR . 12.2 tp -47.88 116.21 1.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.574 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -99.96 -179.16 0.78 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.6 Cg_endo -74.92 171.86 17.46 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 1.8 tm-20 77.51 -76.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.423 ' HB3' ' O ' ' A' ' 76' ' ' GLU . 9.4 pt-20 167.72 56.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.644 ' HD2' HD11 ' A' ' 86' ' ' LEU . 2.2 mtt180 -149.61 163.56 37.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.576 1.172 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.907 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-85 -117.2 120.57 38.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.574 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -95.9 124.29 39.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.444 ' OD1' ' CD1' ' A' ' 87' ' ' TRP . 2.3 p30 -92.91 176.9 6.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.374 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -100.26 -1.55 36.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 84' ' ' SER . 10.1 t-20 -78.34 -1.59 34.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.5 OUTLIER 85.62 41.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.054 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.769 ' HD3' HD21 ' A' ' 105' ' ' LEU . 42.0 mtt-85 -145.55 156.91 44.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.644 HD11 ' HD2' ' A' ' 78' ' ' ARG . 2.0 tm? -121.49 116.62 25.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.711 ' CE2' HD22 ' A' ' 105' ' ' LEU . 8.1 m95 -94.84 140.91 29.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 107.954 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.7 tt0 -101.27 124.61 47.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.006 HD12 HD21 ' A' ' 101' ' ' LEU . 16.4 mm -62.59 94.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -51.65 -48.61 63.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.232 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.546 ' CE1' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -174.01 130.5 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.633 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.415 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . 78.8 t60 -121.36 112.06 18.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.583 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.546 HD22 ' CE1' ' A' ' 91' ' ' HIS . 0.5 OUTLIER -145.13 177.21 8.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.419 ' HE3' ' HG3' ' A' ' 99' ' ' GLN . 3.2 ttm -125.35 130.32 51.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.6 t -134.46 140.3 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 48.05 38.43 9.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.11 23.9 73.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.584 1.177 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 95' ' ' VAL . 2.1 t -126.45 129.66 71.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.419 ' HG3' ' HE3' ' A' ' 94' ' ' MET . 38.1 mt-30 -89.53 116.06 27.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.578 ' HG2' HD21 ' A' ' 102' ' ' LEU . 27.1 tt0 -106.93 103.68 13.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.006 HD21 HD12 ' A' ' 89' ' ' ILE . 2.2 tt -99.26 121.06 40.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.578 HD21 ' HG2' ' A' ' 100' ' ' GLU . 2.6 mt -97.41 120.19 37.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.685 HD12 HG21 ' A' ' 46' ' ' VAL . 17.0 mt -109.97 131.26 55.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.082 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.2 OUTLIER -120.76 130.17 53.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.769 HD21 ' HD3' ' A' ' 85' ' ' ARG . 20.8 tp -107.65 121.89 45.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.466 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.91 173.56 14.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.422 1.749 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.526 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.2 Cg_endo -74.96 95.22 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.544 1.813 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -42.57 -28.11 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.793 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -153.2 146.58 24.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.654 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 58.6 mt -127.52 145.34 50.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.793 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.1 m0 -130.08 112.34 13.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 108.042 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.606 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.9 p -72.14 118.5 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -115.43 -32.9 5.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.637 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.463 ' HB2' ' CG2' ' A' ' 22' ' ' ILE . 1.8 mt-30 -128.72 159.76 34.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.225 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.52 109.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 73.26 17.36 78.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.477 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -119.99 140.53 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.406 0.709 . . . . 0.0 109.266 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.9 m-85 -135.84 153.72 51.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -108.7 134.45 51.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.428 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 24.5 t0 -87.29 -179.03 6.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -91.68 20.71 5.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.546 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 6.4 m-85 -148.59 45.15 1.03 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 7.4 pt20 48.14 45.79 19.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HB2' ' HB3' ' A' ' 25' ' ' ASP . 0.3 OUTLIER -124.51 113.63 18.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.7 p -74.18 151.15 40.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.808 ' HB3' HG12 ' A' ' 46' ' ' VAL . 51.4 m95 -132.13 144.93 51.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 108.008 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.861 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.3 t -109.29 93.51 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.357 1.036 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -81.91 92.54 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.599 HG23 HG12 ' A' ' 32' ' ' VAL . 73.1 t -82.34 92.29 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 35' ' ' VAL . 11.0 p -53.72 109.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.234 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.624 ' O ' HD12 ' A' ' 42' ' ' LEU . 28.9 m-85 . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.559 0.219 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 41' ' ' PHE . 3.5 mp -118.63 141.86 48.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 44' ' ' ALA . 12.5 ttp180 -151.55 147.45 26.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.477 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -139.81 103.52 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -74.26 107.19 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.808 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -92.93 109.33 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.738 ' HG2' HD12 ' A' ' 49' ' ' ILE . 1.2 tt0 -111.93 130.25 55.9 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.501 ' O ' HG13 ' A' ' 98' ' ' VAL . 0.8 OUTLIER -87.3 121.32 29.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.861 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -146.66 163.22 8.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -86.09 101.37 12.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.3 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -120.2 -55.44 2.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.619 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.0 mp -71.72 145.3 89.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.649 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -74.92 172.21 16.79 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.449 1.762 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.514 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -80.06 -10.4 59.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.556 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 3.6 tmm? -170.32 143.35 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.477 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.7 m0 -109.55 155.38 21.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 107.994 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -137.03 106.36 6.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.392 1.057 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 74' ' ' TYR . 1.9 tp -55.41 112.8 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.368 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.605 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -101.68 -176.91 0.5 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.572 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.01 -175.53 2.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 5.9 mm-40 68.16 -77.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.591 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 2.5 tt0 163.2 60.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.475 ' HB2' HD21 ' A' ' 86' ' ' LEU . 27.2 mtm-85 -157.11 161.76 39.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.811 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.3 m-30 -107.58 121.5 44.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.605 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -96.92 115.95 28.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.489 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 17.7 p-10 -80.71 -170.3 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.92 -5.89 13.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.56 ' O ' ' CB ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -79.12 -3.58 46.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.442 1.089 . . . . 0.0 109.261 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.9 OUTLIER 90.24 37.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.069 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.595 ' HB3' HD11 ' A' ' 105' ' ' LEU . 9.3 mmt180 -136.22 155.57 49.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.232 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 78' ' ' ARG . 0.5 OUTLIER -124.57 115.45 20.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.649 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 7.9 m95 -94.05 134.44 36.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 108.029 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.4 tt0 -93.57 117.15 29.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.041 HD12 HD21 ' A' ' 101' ' ' LEU . 20.3 mm -54.27 90.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -50.19 -46.35 54.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.598 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.59 139.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.565 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 77.9 t60 -135.79 112.2 9.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.568 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.51 -174.14 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.444 ' HE3' ' HG3' ' A' ' 99' ' ' GLN . 0.9 OUTLIER -106.02 125.68 51.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 98' ' ' VAL . 5.0 t -122.47 124.28 70.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 49.04 34.78 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 75.36 21.01 78.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.565 1.166 . . . . 0.0 110.952 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.1 t -126.01 128.01 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.474 ' NE2' ' OE1' ' A' ' 48' ' ' GLN . 3.0 mp0 -73.34 107.52 5.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.252 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.61 ' HG2' HD21 ' A' ' 102' ' ' LEU . 33.6 tt0 -103.96 108.93 20.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.041 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -105.2 122.09 45.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.61 HD21 ' HG2' ' A' ' 100' ' ' GLU . 2.6 mt -98.98 120.3 39.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.758 HD12 HG21 ' A' ' 46' ' ' VAL . 14.3 mt -108.7 129.02 55.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 88' ' ' GLN . 1.1 tmmm? -117.34 123.67 47.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.637 HD22 ' CE2' ' A' ' 87' ' ' TRP . 22.2 tp -101.13 126.44 47.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.245 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 174.39 12.87 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.444 1.76 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.468 ' HG3' ' CZ2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -75.04 93.06 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.415 ' HB3' ' OE2' ' A' ' 26' ' ' GLU . 28.2 t70 -41.28 -28.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.82 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -153.03 151.27 30.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 63.2 mt -130.5 146.02 51.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.82 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -130.27 112.46 13.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.025 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.602 ' CG1' HD22 ' A' ' 69' ' ' LEU . 8.5 p -71.16 121.07 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -114.88 -32.99 5.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.47 160.34 37.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' O ' HD12 ' A' ' 22' ' ' ILE . 11.1 tt0 -52.08 110.2 0.46 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.26 23.0 78.64 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.601 1.188 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp -126.09 136.11 61.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 0.805 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.5 m-85 -133.56 154.08 51.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.95 134.12 52.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.468 ' CB ' ' HB2' ' A' ' 29' ' ' ARG . 22.5 t0 -82.76 -177.16 6.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.481 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 5.6 pt-20 -96.67 18.12 14.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -140.46 25.3 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 67.79 44.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 47.0 mtt180 -121.83 115.37 22.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.608 1.192 . . . . 0.0 110.265 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.3 p -76.21 146.2 39.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.836 ' HB3' HG12 ' A' ' 46' ' ' VAL . 58.0 m95 -127.55 155.25 44.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.935 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -120.18 87.89 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -73.67 104.88 4.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.47 HG23 HG12 ' A' ' 32' ' ' VAL . 73.1 t -95.74 81.05 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 p -43.89 107.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 43' ' ' ARG . 9.9 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.87 ' C ' HD22 ' A' ' 42' ' ' LEU . 9.6 m-85 . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.546 0.212 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.87 HD22 ' C ' ' A' ' 41' ' ' PHE . 2.5 mm? -126.63 93.66 3.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.112 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 1.4 ttp180 -103.77 134.66 46.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.44 109.44 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -80.58 106.25 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.258 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.836 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -93.53 105.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.284 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.648 ' OE1' ' CG1' ' A' ' 98' ' ' VAL . 0.1 OUTLIER -105.08 129.85 53.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.15 . . . . 0.0 110.263 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.07 120.07 30.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.935 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -148.34 164.53 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.93 102.48 14.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -125.54 -59.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.232 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.2 mp -65.68 142.12 98.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.609 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.99 169.52 22.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 110.992 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.602 HD22 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -77.71 -8.98 58.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.609 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -170.69 142.91 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.505 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -109.51 155.22 21.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 108.041 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -137.17 99.59 4.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.868 HD13 ' CE1' ' A' ' 79' ' ' TYR . 10.8 tp -51.11 112.68 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.585 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.82 -178.87 0.77 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.584 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -75.04 174.86 12.07 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.477 1.777 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.1 OUTLIER 78.69 -81.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.266 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.61 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 44.2 tt0 169.71 55.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.505 ' CD ' ' C ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -155.12 162.98 40.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.868 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-85 -110.86 124.42 52.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.585 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -99.35 120.31 39.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.483 ' C ' ' OD2' ' A' ' 81' ' ' ASP . 42.4 p30 -85.67 -174.16 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.98 0.53 20.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.572 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.6 t-20 -80.11 -4.18 51.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 1.6 t 91.12 36.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.961 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.956 ' HB3' HD11 ' A' ' 105' ' ' LEU . 21.6 mmt-85 -142.67 163.55 32.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' A' ' 78' ' ' ARG . 1.5 tt -126.14 121.53 33.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 1.009 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.0 m95 -96.53 137.58 35.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' A' ' 104' ' ' LYS . 5.0 tt0 -97.51 126.17 42.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.031 HD12 HD21 ' A' ' 101' ' ' LEU . 19.7 mm -63.45 94.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -54.45 -45.35 73.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.216 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.667 ' CD2' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -173.03 135.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.547 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.409 ' CG ' ' HG ' ' A' ' 101' ' ' LEU . 71.5 t60 -131.42 116.23 17.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.611 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.667 HD22 ' CD2' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -153.02 -179.22 7.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.215 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.402 ' CE ' ' HG3' ' A' ' 99' ' ' GLN . 4.6 ttm -128.81 132.57 47.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.2 t -136.72 138.88 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 48.94 37.78 10.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 68.91 20.71 74.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.648 ' CG1' ' OE1' ' A' ' 47' ' ' GLN . 2.0 t -122.35 130.83 74.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.402 ' HG3' ' CE ' ' A' ' 94' ' ' MET . 7.3 mt-30 -94.15 116.06 28.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.606 ' HG2' HD21 ' A' ' 102' ' ' LEU . 17.6 tt0 -107.94 104.02 13.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.031 HD21 HD12 ' A' ' 89' ' ' ILE . 1.9 tt -99.7 123.12 43.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.606 HD21 ' HG2' ' A' ' 100' ' ' GLU . 3.1 mt -98.23 121.36 40.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.666 HD12 HG21 ' A' ' 46' ' ' VAL . 18.0 mt -112.0 129.36 56.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.562 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -119.58 129.59 54.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 1.009 HD13 ' CD1' ' A' ' 87' ' ' TRP . 45.0 tp -108.32 123.96 49.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.235 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 173.55 14.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.3 Cg_endo -74.97 94.16 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 110.982 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -41.78 -28.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.753 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.87 148.31 27.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 57.5 mt -128.29 147.14 50.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.753 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.1 m0 -130.53 111.77 12.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 108.008 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.801 HG12 HD13 ' A' ' 69' ' ' LEU . 8.2 p -67.39 122.6 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -114.35 -33.01 5.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 109.595 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.68 ' HB3' HD13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -138.68 158.34 44.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.738 ' O ' HD12 ' A' ' 22' ' ' ILE . 6.0 pt-20 -51.1 108.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 77.76 23.73 66.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 20' ' ' GLU . 4.4 mp -130.21 139.22 51.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.44 0.729 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.526 ' OH ' ' HB3' ' A' ' 67' ' ' LEU . 13.9 m-85 -137.04 153.25 50.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.038 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -108.91 134.95 50.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' ARG . 28.8 t0 -80.87 180.0 7.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.598 1.186 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 16.2 pt-20 -95.73 14.4 23.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -140.18 29.94 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 66.69 47.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.586 1.178 . . . . 0.0 110.287 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 25' ' ' ASP . 2.7 mtt180 -125.46 117.43 23.65 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.437 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 19.1 p -79.01 148.04 32.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.846 ' HB3' HG12 ' A' ' 46' ' ' VAL . 63.0 m95 -133.41 148.56 51.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.85 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.4 t -114.78 92.89 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.211 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -77.24 111.81 13.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.7 t -103.07 97.12 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.249 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.27 115.37 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 110.327 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.596 ' C ' HD22 ' A' ' 42' ' ' LEU . 19.7 m-85 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.465 0.174 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.596 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.7 mm? -120.67 88.2 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 11.0 ttm180 -96.72 121.68 38.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.229 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.415 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -110.14 82.42 1.59 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.515 ' CG ' HD22 ' A' ' 102' ' ' LEU . 3.0 ttm-85 -58.96 110.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.846 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.1 t -99.0 109.58 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.508 ' HG3' ' CG1' ' A' ' 98' ' ' VAL . 4.1 tt0 -106.77 134.34 50.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.501 ' O ' HG13 ' A' ' 98' ' ' VAL . 30.9 tp60 -88.29 126.83 35.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.85 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -154.06 177.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -109.25 107.12 17.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -127.84 -61.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.352 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.589 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.7 mp -67.08 142.97 97.55 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.655 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.0 Cg_endo -75.08 162.09 37.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.54 1.811 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.801 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -69.65 -19.19 63.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.609 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 6.2 ttp -161.08 143.26 12.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.5 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.7 m0 -108.94 154.5 22.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -137.74 93.33 2.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 110.327 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.656 HD12 ' N ' ' A' ' 74' ' ' TYR . 4.2 tp -40.99 124.49 2.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.656 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -120.79 -178.53 0.6 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.561 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.01 166.11 29.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 78.37 6.88 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.364 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 70.92 49.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.672 ' CZ ' HD13 ' A' ' 86' ' ' LEU . 38.9 mtp180 -140.16 160.19 40.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.682 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.5 m-30 -112.03 121.66 45.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.569 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -97.06 117.0 30.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.489 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 34.3 p30 -71.04 -172.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -114.04 0.51 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.636 ' O ' ' CB ' ' A' ' 84' ' ' SER . 6.2 t-20 -82.02 -51.03 8.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 2.8 m 146.91 39.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.909 ' HB3' HD11 ' A' ' 105' ' ' LEU . 20.3 mtt180 -144.87 161.53 39.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.345 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.672 HD13 ' CZ ' ' A' ' 78' ' ' ARG . 1.1 tt -127.33 115.75 19.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.922 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.2 m95 -90.14 136.95 32.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 104' ' ' LYS . 4.2 tt0 -95.65 121.6 37.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.032 HD12 HD21 ' A' ' 101' ' ' LEU . 7.6 mm -60.66 92.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -44.38 66.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.075 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.692 ' CE1' HD21 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -172.38 143.15 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.616 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.427 ' C ' HD13 ' A' ' 93' ' ' LEU . 76.8 t60 -139.88 115.71 10.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.623 1.202 . . . . 0.0 109.601 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.695 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -157.89 -171.36 3.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.673 ' HE2' ' C ' ' A' ' 97' ' ' GLY . 2.9 ttm -117.09 124.76 50.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.3 t -124.24 132.36 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER 49.02 38.61 12.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.673 ' C ' ' HE2' ' A' ' 94' ' ' MET . . . 67.92 26.32 73.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.508 ' CG1' ' HG3' ' A' ' 47' ' ' GLN . 2.1 t -130.76 135.6 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -82.57 113.69 20.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.646 ' HG2' HD21 ' A' ' 102' ' ' LEU . 35.1 tt0 -109.79 106.21 15.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.032 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -104.42 122.58 45.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.646 HD21 ' HG2' ' A' ' 100' ' ' GLU . 2.4 mt -99.33 123.85 43.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.696 HD12 HG21 ' A' ' 46' ' ' VAL . 18.0 mt -113.63 127.73 56.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -116.47 129.8 56.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.922 HD13 ' CD1' ' A' ' 87' ' ' TRP . 46.6 tp -109.15 116.06 31.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 174.15 13.29 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.513 1.796 . . . . 0.0 110.971 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.498 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.4 Cg_endo -74.94 90.95 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.805 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.451 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 14.3 t0 -40.6 -29.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.231 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.803 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -151.04 149.3 29.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.612 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.49 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 62.3 mt -129.29 146.46 51.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.803 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.1 m0 -131.58 111.3 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.163 . . . . 0.0 107.999 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.683 HG12 HD13 ' A' ' 69' ' ' LEU . 11.1 p -71.74 118.26 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -114.91 -33.65 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.642 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -125.96 161.11 28.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' HD12 ' A' ' 22' ' ' ILE . 2.7 tt0 -54.63 113.35 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 69.47 23.75 76.39 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.442 1.088 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.605 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.3 mp -122.56 157.46 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.2 m-85 -151.08 149.34 29.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' TRP . 1.4 ttp85 -105.74 131.12 53.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -81.49 179.9 7.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.591 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 13.1 tt0 -94.19 16.83 13.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -140.99 28.34 1.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 65.69 48.02 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.402 ' HB3' ' NE2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -126.86 117.44 22.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.29 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.416 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 1.4 p -80.43 134.45 36.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.762 ' HB3' HG12 ' A' ' 46' ' ' VAL . 54.5 m95 -116.84 150.35 38.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 107.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.699 HG23 HD11 ' A' ' 49' ' ' ILE . 2.5 t -116.79 103.47 15.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -87.15 112.92 22.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.6 t -100.05 81.73 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 p -45.99 112.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.36 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.617 ' C ' HD22 ' A' ' 42' ' ' LEU . 52.1 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.544 0.211 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.617 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.7 mm? -119.83 104.3 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.243 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.442 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 23.0 ttm180 -113.98 133.78 55.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.21 89.96 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.492 ' HG3' HD22 ' A' ' 102' ' ' LEU . 4.5 ttm180 -64.69 110.27 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.767 HG21 HD12 ' A' ' 103' ' ' LEU . 1.9 t -98.91 117.35 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.402 ' HG2' HG23 ' A' ' 49' ' ' ILE . 2.8 tt0 -111.04 134.62 52.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.424 ' OE1' ' N ' ' A' ' 49' ' ' ILE . 5.8 tp-100 -93.01 123.28 36.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.807 HD13 ' N ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -147.77 165.2 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.78 82.02 3.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -122.84 -59.42 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.559 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.3 mp -67.84 140.13 93.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.365 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.656 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.04 167.18 27.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.545 1.813 . . . . 0.0 110.979 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.683 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -75.32 -14.64 60.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.38 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.623 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -164.33 141.67 6.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.072 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.506 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.3 m0 -107.46 155.77 19.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 80' ' ' MET . 2.8 tp60 -135.37 98.93 4.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.855 HD13 ' CE1' ' A' ' 79' ' ' TYR . 11.5 tp -51.34 115.98 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -101.39 -177.43 0.56 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.551 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.06 179.21 6.32 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 1.1 mm-40 70.6 -79.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 9.5 tt0 168.66 62.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.467 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 84.4 mtt180 -157.27 160.14 38.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.855 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-85 -111.39 121.44 45.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.559 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -94.93 121.2 36.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.965 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.482 ' C ' ' OD2' ' A' ' 81' ' ' ASP . 42.9 p30 -87.24 -173.37 4.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -109.63 0.62 19.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.231 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.538 ' O ' ' CB ' ' A' ' 84' ' ' SER . 0.4 OUTLIER -82.12 -2.91 53.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 88.51 36.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.925 ' HB3' HD11 ' A' ' 105' ' ' LEU . 9.1 mtt180 -141.31 156.3 45.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -120.48 119.47 33.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.371 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 1.04 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.3 m95 -94.22 136.31 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 108.02 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 104' ' ' LYS . 4.2 tt0 -94.54 122.7 37.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.091 HD12 HD21 ' A' ' 101' ' ' LEU . 9.9 mm -63.47 94.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -45.66 70.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.217 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.687 ' CE1' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.98 147.56 2.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.548 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.569 ' C ' HD13 ' A' ' 93' ' ' LEU . 76.7 t60 -142.93 109.6 5.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.655 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.62 HD22 ' H ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -145.85 -170.56 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.261 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.8 ttm -131.22 129.39 41.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 98' ' ' VAL . 49.4 t -134.79 139.46 47.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? 47.58 39.44 9.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.246 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.15 27.07 72.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.115 . . . . 0.0 111.043 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 95' ' ' VAL . 2.1 t -130.33 134.5 62.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -95.32 115.4 27.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.569 ' HG2' HD21 ' A' ' 102' ' ' LEU . 30.8 tt0 -106.27 110.68 23.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.091 HD21 HD12 ' A' ' 89' ' ' ILE . 1.8 tt -105.77 121.89 44.95 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.687 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 2.2 mt -98.02 125.49 43.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.767 HD12 HG21 ' A' ' 46' ' ' VAL . 17.4 mt -115.24 129.15 56.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -118.53 127.03 53.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 1.04 HD13 ' CD1' ' A' ' 87' ' ' TRP . 35.1 tp -106.39 122.97 47.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.438 ' HB2' ' OH ' ' A' ' 79' ' ' TYR . 18.2 Cg_endo -75.01 173.91 13.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.047 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.474 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.2 Cg_endo -75.0 93.15 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.431 1.753 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.437 ' HA ' ' CB ' ' A' ' 73' ' ' LEU . 15.6 t0 -41.86 -29.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.811 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -151.4 148.82 28.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.57 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 62.6 mt -129.37 146.12 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.811 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.6 m0 -130.81 112.64 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.6 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 8.3 p -73.49 119.14 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -115.22 -34.38 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.575 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -127.67 158.24 38.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.348 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.02 110.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 71.93 21.72 78.96 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mp -124.09 139.16 51.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.583 0.813 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.3 m-85 -134.83 152.26 51.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -107.05 133.23 52.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.093 . . . . 0.0 110.294 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -85.7 179.7 7.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.18 23.54 2.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.462 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 8.1 m-85 -154.13 48.56 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 7.4 pm0 46.72 41.84 10.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.175 . . . . 0.0 110.28 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.87 110.09 17.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.465 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 7.1 p -74.98 144.53 43.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.371 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.85 ' HB3' HG12 ' A' ' 46' ' ' VAL . 49.7 m95 -124.64 153.1 42.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.02 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.941 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -117.51 97.91 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -83.07 104.56 13.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.426 HG11 ' NH2' ' A' ' 45' ' ' ARG . 99.1 t -89.21 75.97 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 p -52.13 109.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 3.1 pt-20 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.884 ' C ' HD22 ' A' ' 42' ' ' LEU . 8.9 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.552 0.215 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.884 HD22 ' C ' ' A' ' 41' ' ' PHE . 2.3 mm? -128.87 101.88 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 23.4 ttp85 -110.52 125.41 53.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.1 92.4 3.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.366 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.426 ' NH2' HG11 ' A' ' 34' ' ' VAL . 4.7 ttm180 -70.51 109.59 4.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.85 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -96.5 113.42 30.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 32' ' ' VAL . 2.7 tt0 -109.05 133.75 52.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.513 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 27.6 tp60 -90.8 124.45 35.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.941 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -156.44 168.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.59 112.03 23.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.364 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -119.64 -57.71 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.566 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.3 mp -66.84 143.12 97.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.621 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -74.98 168.37 25.0 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.495 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.95 -24.3 59.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.51 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -156.7 140.6 16.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.493 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.6 m0 -105.39 155.07 19.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.038 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 80' ' ' MET . 1.0 OUTLIER -134.09 95.81 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.799 HD12 ' N ' ' A' ' 74' ' ' TYR . 1.0 OUTLIER -41.87 123.07 2.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.799 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -124.59 175.55 2.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.549 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -74.91 177.81 8.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 1.0 OUTLIER 67.32 19.49 10.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 58.61 50.91 8.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 110.264 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -144.2 157.85 44.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.799 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-30 -111.57 128.93 56.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.595 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -101.43 119.35 38.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.407 ' HB3' ' HG3' ' A' ' 68' ' ' PRO . 7.4 p30 -92.52 176.08 6.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -97.59 2.32 49.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 84' ' ' SER . 1.9 t-20 -79.25 -2.16 39.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.9 OUTLIER 85.65 36.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.937 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.882 ' HB3' HD11 ' A' ' 105' ' ' LEU . 17.2 mmt85 -144.51 162.24 37.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 110.277 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 79' ' ' TYR . 1.3 tt -125.85 116.25 21.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.999 ' CD1' HD13 ' A' ' 105' ' ' LEU . 9.3 m95 -89.63 140.26 29.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 107.96 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.7 tt0 -96.17 129.13 43.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.033 HD12 HD21 ' A' ' 101' ' ' LEU . 5.6 mm -73.11 90.94 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -53.47 -42.08 66.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.65 ' CE1' HD21 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -170.53 150.41 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.547 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.437 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . 48.3 t60 -147.96 115.09 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.587 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.783 HD22 ' H ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -152.52 -172.91 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.432 ' HA ' ' O ' ' A' ' 98' ' ' VAL . 1.3 ttp -140.85 122.32 15.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.8 t -126.91 143.31 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.88 34.85 8.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 69.13 23.97 76.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.452 HG22 HG22 ' A' ' 49' ' ' ILE . 2.0 t -124.17 126.28 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.506 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -91.26 117.86 30.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 110.285 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.615 ' HG2' HD21 ' A' ' 102' ' ' LEU . 35.1 tt0 -111.52 104.68 13.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.033 HD21 HD12 ' A' ' 89' ' ' ILE . 1.9 tt -102.45 124.78 48.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.649 HD23 ' C ' ' A' ' 101' ' ' LEU . 2.4 mt -100.74 128.16 46.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.555 HD12 HG21 ' A' ' 46' ' ' VAL . 17.2 mt -118.31 131.92 56.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -120.03 126.29 50.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.999 HD13 ' CD1' ' A' ' 87' ' ' TRP . 37.3 tp -106.44 114.45 28.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.908 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 174.83 12.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.464 1.77 . . . . 0.0 111.011 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.529 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.3 Cg_endo -75.0 91.65 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' PRO . 15.7 t70 -40.09 -29.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.787 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.54 146.83 26.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.548 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 23' ' ' TYR . 56.0 mt -126.2 150.1 48.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.787 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 15.8 m0 -132.08 106.65 8.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 108.026 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.862 ' CG1' HD22 ' A' ' 69' ' ' LEU . 2.0 p -65.96 124.61 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 109.248 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -113.43 -31.84 6.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.638 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -146.46 160.69 41.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.605 ' O ' HD12 ' A' ' 22' ' ' ILE . 9.8 pt-20 -49.58 109.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 110.26 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.491 ' C ' HD12 ' A' ' 22' ' ' ILE . . . 74.95 24.93 70.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 20' ' ' GLU . 3.2 mp -130.44 130.44 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.549 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.4 m-85 -133.71 153.8 51.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.058 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -111.53 131.86 54.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' ARG . 12.0 t0 -80.15 176.7 9.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.535 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 11.9 tt0 -91.38 24.28 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.591 1.182 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -149.47 27.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 67.91 40.21 2.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER -115.78 114.87 25.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.8 p -79.48 140.84 37.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.864 ' HB3' HG12 ' A' ' 46' ' ' VAL . 53.6 m95 -122.57 156.15 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 108.038 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.91 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -119.78 93.98 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -76.43 116.49 17.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 t -106.85 90.61 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.735 HG21 ' OE1' ' A' ' 66' ' ' GLN . 5.2 p -64.91 113.98 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.348 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.471 0.177 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.472 ' O ' ' CD ' ' A' ' 104' ' ' LYS . 39.7 mt -116.48 140.2 49.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -149.1 118.7 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.84 85.98 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.596 ' CG ' HD22 ' A' ' 102' ' ' LEU . 2.3 ttm-85 -64.6 108.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.864 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.1 t -95.62 110.79 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.541 ' HG2' HD12 ' A' ' 49' ' ' ILE . 1.2 tt0 -110.58 127.69 55.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.545 ' NE2' ' OE1' ' A' ' 99' ' ' GLN . 0.2 OUTLIER -89.0 118.93 29.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.91 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -154.7 159.73 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -69.38 114.26 7.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.735 ' OE1' HG21 ' A' ' 35' ' ' VAL . 3.8 mt-30 -138.68 -57.85 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.142 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 67' ' ' LEU . 2.5 mp -66.8 144.56 98.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.698 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.04 167.65 26.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.986 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.862 HD22 ' CG1' ' A' ' 17' ' ' VAL . 0.8 OUTLIER -70.91 -40.28 72.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.687 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 5.3 ttp -140.52 141.67 35.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.497 ' CZ3' ' CE2' ' A' ' 23' ' ' TYR . 1.7 m0 -106.42 157.9 17.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 108.033 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -139.41 107.25 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.724 HD13 ' CE1' ' A' ' 79' ' ' TYR . 8.6 tp -59.7 115.41 3.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.253 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.55 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -102.12 -178.47 0.66 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.949 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.02 165.5 31.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 6.3 tt0 86.45 -75.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.582 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 4.4 tt0 162.08 56.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.587 ' HB2' HD21 ' A' ' 86' ' ' LEU . 14.7 mtp180 -153.91 158.58 40.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.888 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-30 -107.44 126.04 51.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.535 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.6 OUTLIER -99.46 117.34 33.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.434 ' OD1' ' CD1' ' A' ' 87' ' ' TRP . 1.6 p30 -89.27 177.28 6.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.69 0.94 42.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 84' ' ' SER . 18.3 t30 -80.44 -2.61 46.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.6 OUTLIER 86.86 34.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.922 ' HB3' HD11 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -141.3 158.92 43.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.203 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.587 HD21 ' HB2' ' A' ' 78' ' ' ARG . 1.3 tt -125.03 114.94 19.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.989 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.3 m95 -89.1 139.42 30.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.062 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.7 tt0 -94.91 122.52 37.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.998 HD12 HD21 ' A' ' 101' ' ' LEU . 16.9 mm -63.18 90.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.77 -44.13 58.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.637 ' CE1' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.66 154.99 3.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.66 ' C ' HD13 ' A' ' 93' ' ' LEU . 71.1 t60 -151.88 112.19 4.11 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.095 . . . . 0.0 109.587 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.731 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -152.91 -170.44 3.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.448 ' HE1' ' C ' ' A' ' 97' ' ' GLY . 2.5 ttm -121.44 122.44 39.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.442 1.088 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.7 t -125.72 134.34 66.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 50.07 38.13 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.246 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.448 ' C ' ' HE1' ' A' ' 94' ' ' MET . . . 68.28 24.79 74.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.1 t -131.62 131.53 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.78 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.545 ' OE1' ' NE2' ' A' ' 48' ' ' GLN . 3.2 mt-30 -86.0 112.35 21.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.537 ' HG2' HD21 ' A' ' 102' ' ' LEU . 35.3 tt0 -103.78 113.9 27.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.998 HD21 HD12 ' A' ' 89' ' ' ILE . 1.8 tt -108.34 125.26 51.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.708 HD23 ' C ' ' A' ' 101' ' ' LEU . 1.9 mt -101.68 129.84 47.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.729 HD12 HG21 ' A' ' 46' ' ' VAL . 15.8 mt -118.61 125.86 50.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -114.65 126.62 55.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.989 HD13 ' CD1' ' A' ' 87' ' ' TRP . 43.4 tp -106.37 118.04 35.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 106' ' ' LEU . 7.2 mp . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.426 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.98 174.51 12.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.525 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.3 Cg_endo -74.98 95.35 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.792 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -43.18 -27.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.807 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -155.07 148.76 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.567 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 49.8 mt -126.77 147.44 49.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.807 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 15.7 m0 -131.03 111.6 12.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 107.959 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.856 HG12 HD13 ' A' ' 69' ' ' LEU . 9.5 p -70.57 122.99 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -114.78 -33.71 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.087 . . . . 0.0 109.603 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.501 ' HB3' HD13 ' A' ' 22' ' ' ILE . 2.0 mt-30 -133.22 167.5 20.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.268 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.512 ' O ' HD12 ' A' ' 22' ' ' ILE . 13.5 pt-20 -59.87 108.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 77.89 22.14 69.71 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.464 1.103 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.582 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.3 mp -124.15 155.47 31.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.574 0.808 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.0 m-85 -153.3 152.94 31.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -110.48 132.48 54.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' ARG . 26.9 t0 -80.12 178.68 8.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.374 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.553 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 26.5 tt0 -93.72 18.87 9.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -144.9 29.13 1.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 67.26 45.56 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.591 ' NH1' HE22 ' A' ' 99' ' ' GLN . 1.4 mtm180 -122.42 116.16 23.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.602 1.189 . . . . 0.0 110.264 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 p -79.95 139.05 37.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.896 ' HB3' HG12 ' A' ' 46' ' ' VAL . 58.4 m95 -123.54 152.93 41.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 107.984 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.861 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -121.48 96.41 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -83.11 103.93 12.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.494 ' O ' HG12 ' A' ' 34' ' ' VAL . 55.6 t -91.0 75.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 p -41.79 111.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.748 ' C ' HD22 ' A' ' 42' ' ' LEU . 12.2 m-85 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.502 0.192 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.748 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.3 mm? -123.01 107.92 12.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.221 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -113.2 125.92 54.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.88 93.12 4.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 33' ' ' ALA . 2.9 ttm-85 -68.54 106.04 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.896 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -93.86 108.39 20.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.566 ' HG2' HD12 ' A' ' 49' ' ' ILE . 2.2 tt0 -106.33 129.46 54.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.455 ' O ' HG13 ' A' ' 98' ' ' VAL . 1.6 tm0? -87.91 120.92 29.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.364 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.861 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -148.4 162.49 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -89.62 107.42 19.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.5 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.29 -64.33 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 110.268 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.7 mp -58.5 144.5 78.73 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.669 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.1 Cg_endo -75.03 149.73 37.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.778 . . . . 0.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.856 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -59.38 -23.04 62.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.606 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -157.47 138.28 13.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.583 ' CD1' ' HG2' ' A' ' 68' ' ' PRO . 1.4 m0 -103.78 157.73 16.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.059 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 80' ' ' MET . 1.0 OUTLIER -138.03 96.87 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.008 HD12 ' N ' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -41.61 125.01 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 1.008 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -121.98 167.69 13.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.949 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.467 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.97 164.75 32.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 0.2 OUTLIER 82.7 9.65 0.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.325 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 70.91 58.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.448 ' CB ' HD11 ' A' ' 86' ' ' LEU . 71.6 mtt180 -155.26 162.06 40.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.761 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-30 -117.52 130.26 56.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.102 . . . . 0.0 111.041 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.656 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -103.87 123.94 48.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.487 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 29.1 p30 -79.13 -173.58 3.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -113.77 0.79 14.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.652 ' O ' ' CB ' ' A' ' 84' ' ' SER . 8.3 t-20 -83.14 -50.47 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 2.9 m 145.38 40.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.996 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.679 ' HD2' HD21 ' A' ' 105' ' ' LEU . 34.2 mtt85 -144.42 157.55 44.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.279 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.656 HD22 ' HA ' ' A' ' 80' ' ' MET . 0.4 OUTLIER -123.39 117.59 25.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.69 ' CE2' HD22 ' A' ' 105' ' ' LEU . 7.6 m95 -97.16 143.56 27.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 107.998 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -102.65 133.71 47.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 110.304 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.077 HD12 HD21 ' A' ' 101' ' ' LEU . 17.7 mm -69.63 89.01 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 102' ' ' LEU . 1.7 mm-40 -47.95 -47.47 32.58 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.695 ' CE1' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -173.86 126.37 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.534 1.146 . . . . 0.0 109.561 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.426 ' NE2' ' HB3' ' A' ' 11' ' ' PRO . 74.2 t60 -119.39 114.18 21.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.596 1.185 . . . . 0.0 109.632 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.695 HD22 ' CE1' ' A' ' 91' ' ' HIS . 0.7 OUTLIER -152.12 177.39 10.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.227 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.45 ' HE3' ' HG3' ' A' ' 99' ' ' GLN . 5.6 ttm -121.35 134.42 55.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 98' ' ' VAL . 49.4 t -137.15 139.46 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 47.42 40.54 11.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.34 25.27 71.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.1 t -129.35 131.03 67.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.591 HE22 ' NH1' ' A' ' 29' ' ' ARG . 63.7 mt-30 -87.64 118.7 27.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.552 ' HG2' HD21 ' A' ' 102' ' ' LEU . 7.7 tt0 -110.25 103.16 11.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.077 HD21 HD12 ' A' ' 89' ' ' ILE . 2.9 tt -99.93 120.74 40.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.561 ' CD1' ' CD2' ' A' ' 91' ' ' HIS . 2.5 mt -96.99 121.7 39.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.781 HD12 HG21 ' A' ' 46' ' ' VAL . 20.6 mt -111.53 131.97 54.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -123.13 125.66 45.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.244 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.69 HD22 ' CE2' ' A' ' 87' ' ' TRP . 20.7 tp -101.37 123.35 45.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.65 15.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HB3' ' CG ' ' A' ' 25' ' ' ASP . 18.3 Cg_endo -75.01 95.51 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -44.47 -26.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.768 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -152.63 146.91 25.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.603 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.507 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 66.4 mt -129.03 145.74 51.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.768 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.3 m0 -130.42 110.07 11.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 108.014 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.633 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 10.5 p -71.85 117.7 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.415 ' HB2' ' NH1' ' A' ' 24' ' ' ARG . 1.9 t-80 -113.01 -30.31 7.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.551 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -132.55 152.6 51.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 20' ' ' GLU . 1.1 pp20? -51.16 110.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.259 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 76.59 24.32 67.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.1 mp -131.23 148.13 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.633 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.4 m-85 -143.83 152.07 40.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -107.62 132.41 53.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.403 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 23.4 t0 -85.69 179.73 7.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -88.74 23.21 2.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.546 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 12.4 m-85 -151.93 45.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.612 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER 49.21 36.75 9.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.86 108.17 17.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 p -74.1 145.7 44.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.419 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.838 ' HB3' HG12 ' A' ' 46' ' ' VAL . 51.9 m95 -124.89 158.33 33.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.948 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -120.54 101.29 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -86.82 104.59 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.339 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.798 HG11 ' NH2' ' A' ' 45' ' ' ARG . 71.5 t -91.97 76.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.483 ' CG2' ' OE1' ' A' ' 66' ' ' GLN . 7.5 p -46.71 105.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.736 ' C ' HD22 ' A' ' 42' ' ' LEU . 2.3 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.555 0.217 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.736 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.3 mm? -122.84 109.33 14.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.536 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -117.89 123.56 46.15 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -115.13 92.28 3.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.798 ' NH2' HG11 ' A' ' 34' ' ' VAL . 6.7 ttm180 -68.6 109.62 3.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.838 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -95.9 113.59 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.568 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.1 tt0 -108.03 128.48 54.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.529 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 1.7 tm0? -86.08 123.94 31.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.948 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -156.86 165.0 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.601 1.188 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -92.76 111.71 23.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.933 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.483 ' OE1' ' CG2' ' A' ' 35' ' ' VAL . 58.8 mt-30 -136.38 -56.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.6 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.1 mp -70.84 140.21 86.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -74.95 167.35 27.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.768 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.455 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.05 -20.95 60.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.545 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 8.1 ttp -159.44 143.37 14.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.488 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -107.78 159.15 16.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.429 ' CB ' ' O ' ' A' ' 80' ' ' MET . 1.1 tp-100 -138.23 100.95 4.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.947 HD12 ' N ' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -46.43 121.41 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.947 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -120.47 172.75 4.34 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.928 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.592 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.1 Cg_endo -75.02 179.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.586 1.835 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 2.8 mm-40 66.52 16.32 10.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 63.03 54.31 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.666 ' HB2' HD11 ' A' ' 86' ' ' LEU . 7.8 mtm180 -148.25 160.91 42.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.321 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.707 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.1 m-30 -114.25 134.01 55.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.849 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -104.63 123.11 46.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.181 . . . . 0.0 111.041 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.436 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 6.3 p30 -96.09 178.01 5.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.36 2.46 42.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.256 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 84' ' ' SER . 14.0 t-20 -80.18 -2.64 45.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 85.04 39.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.921 ' HB3' HD11 ' A' ' 105' ' ' LEU . 69.6 mtt180 -148.5 158.99 44.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.849 HD22 ' HA ' ' A' ' 80' ' ' MET . 0.9 OUTLIER -119.55 119.32 33.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 1.031 ' CD1' HD13 ' A' ' 105' ' ' LEU . 9.0 m95 -92.39 139.31 30.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 108.071 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.0 tt0 -95.75 127.61 41.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.771 HD12 HD21 ' A' ' 101' ' ' LEU . 6.2 mm -68.42 93.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.436 ' CG ' ' HE3' ' A' ' 104' ' ' LYS . 3.9 mm100 -55.39 -45.7 76.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.584 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.12 146.96 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.575 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.402 ' CG ' ' HG ' ' A' ' 101' ' ' LEU . 76.1 t60 -144.0 110.36 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.608 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.408 HD13 HG23 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -150.95 -172.99 4.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.0 ttm -116.34 126.47 53.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.408 HG23 HD13 ' A' ' 93' ' ' LEU . 35.5 t -127.26 133.52 67.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 49.57 37.7 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 69.81 17.89 73.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.568 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.1 t -124.55 130.68 73.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.425 0.721 . . . . 0.0 109.323 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -80.18 114.66 19.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.621 ' HG2' HD21 ' A' ' 102' ' ' LEU . 36.2 tt0 -106.88 106.37 16.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.622 1.201 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.771 HD21 HD12 ' A' ' 89' ' ' ILE . 2.4 tt -102.08 125.58 48.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.634 HD23 ' C ' ' A' ' 101' ' ' LEU . 2.9 mt -102.01 127.33 48.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.607 HD12 HG21 ' A' ' 46' ' ' VAL . 13.4 mt -117.72 131.43 56.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.3 tppp? -120.71 129.99 53.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 1.031 HD13 ' CD1' ' A' ' 87' ' ' TRP . 42.2 tp -110.08 122.41 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.459 ' CD1' ' CE1' ' A' ' 41' ' ' PHE . 3.9 mm? . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.26 14.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.963 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.474 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.5 Cg_endo -74.91 93.68 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.079 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.44 -27.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.805 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -152.02 145.89 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.596 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 54.9 mt -127.34 146.38 50.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.805 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.5 m0 -130.55 111.17 12.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.625 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.6 p -70.86 121.8 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -115.79 -32.54 5.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.598 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.3 158.94 42.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.47 109.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 32' ' ' VAL . . . 76.51 22.07 73.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.587 1.179 . . . . 0.0 111.025 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.456 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.5 mp -127.91 143.2 41.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.625 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.3 m-85 -140.71 153.63 46.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -108.48 133.72 52.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.44 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 23.1 t0 -87.49 -178.91 6.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -90.85 19.74 5.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.538 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 4.9 m-85 -147.01 44.0 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.538 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 7.5 pt20 48.41 43.82 19.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.402 ' HB2' ' HB3' ' A' ' 25' ' ' ASP . 58.6 mtt180 -121.21 109.2 14.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 p -73.52 143.84 46.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.847 ' HB3' HG12 ' A' ' 46' ' ' VAL . 50.6 m95 -122.5 157.99 30.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.001 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.905 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -119.74 98.37 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -86.72 111.56 20.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.0 t -103.41 102.1 13.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.3 123.35 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.572 ' C ' HD22 ' A' ' 42' ' ' LEU . 27.4 m-85 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.527 0.203 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.572 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.6 mm? -115.6 125.66 53.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.225 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.498 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 12.1 ttp180 -138.57 139.65 38.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 103' ' ' LEU . . . -129.17 107.95 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.53 ' CG ' HD22 ' A' ' 102' ' ' LEU . 2.0 ttm180 -78.11 107.21 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.847 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -91.75 110.96 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.516 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.2 tt0 -107.32 127.53 53.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.621 ' O ' HG13 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -86.3 120.85 28.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.905 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -154.64 166.12 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.38 87.13 4.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.616 HG13 HG12 ' A' ' 49' ' ' ILE . 18.3 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.41 ' O ' ' OG ' ' A' ' 65' ' ' SER . 5.9 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -139.62 -52.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.581 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.1 mp -68.1 141.1 93.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.238 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.638 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -75.01 175.48 11.18 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.44 1.758 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.608 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -83.98 -14.13 51.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.228 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.596 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -166.44 139.2 3.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.465 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.9 m0 -106.27 154.09 21.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 107.968 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -135.97 94.94 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.711 HD12 ' N ' ' A' ' 74' ' ' TYR . 3.6 tp -41.75 126.61 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.711 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -124.48 -178.36 0.67 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.579 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.03 170.84 19.53 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.525 1.803 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 2.8 mm-40 72.93 12.45 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 65.29 47.94 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.411 ' HB2' HD21 ' A' ' 86' ' ' LEU . 9.2 mtp180 -137.75 161.67 35.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.698 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.5 m-30 -114.21 125.26 53.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.581 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 1.2 ttt -98.0 121.08 39.49 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.383 1.052 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.449 ' OD2' ' N ' ' A' ' 83' ' ' ASN . 5.7 p30 -92.37 178.63 5.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.361 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -100.58 3.04 42.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 84' ' ' SER . 26.6 t30 -80.18 -3.34 48.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 87.14 38.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.97 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.901 ' HB3' HD11 ' A' ' 105' ' ' LEU . 27.0 mtt180 -148.23 161.01 42.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 79' ' ' TYR . 1.3 tt -122.48 117.97 27.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.981 ' CD1' HD13 ' A' ' 105' ' ' LEU . 7.4 m95 -90.43 138.92 31.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 108.056 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.3 tt0 -97.44 122.86 40.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.062 HD12 HD21 ' A' ' 101' ' ' LEU . 6.0 mm -60.73 89.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -48.93 -45.91 42.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.65 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.7 138.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.546 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -135.38 115.88 13.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.577 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.89 -171.66 3.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.432 ' HE1' ' C ' ' A' ' 97' ' ' GLY . 2.7 ttm -118.87 125.64 49.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.2 t -128.06 135.11 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.7 38.95 16.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.432 ' C ' ' HE1' ' A' ' 94' ' ' MET . . . 66.84 25.26 73.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.072 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.1 t -132.44 132.44 60.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 109.219 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.427 ' OE1' ' NE2' ' A' ' 48' ' ' GLN . 26.3 mt-30 -82.12 112.95 19.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.553 ' HG2' HD21 ' A' ' 102' ' ' LEU . 33.6 tt0 -105.8 107.56 18.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.062 HD21 HD12 ' A' ' 89' ' ' ILE . 2.1 tt -101.77 121.89 42.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.65 ' CD1' ' CD2' ' A' ' 91' ' ' HIS . 3.0 mt -97.66 121.48 39.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.827 HD12 HG21 ' A' ' 46' ' ' VAL . 11.9 mt -110.85 128.63 55.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.693 ' NZ ' HD12 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -119.27 129.27 54.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.981 HD13 ' CD1' ' A' ' 87' ' ' TRP . 43.9 tp -109.4 127.76 54.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.693 HD12 ' NZ ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 172.42 16.39 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.542 1.812 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.536 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 17.9 Cg_endo -75.11 93.91 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.424 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 20.8 t70 -41.84 -28.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.797 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -152.37 148.12 27.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.52 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 66.5 mt -128.89 145.09 51.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.797 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.7 m0 -130.04 109.76 11.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 108.047 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.606 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.3 p -69.43 119.56 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -114.27 -32.84 5.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.564 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -129.04 159.1 37.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.496 ' O ' HD12 ' A' ' 22' ' ' ILE . 7.1 pm0 -53.42 111.4 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 73.17 27.28 68.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.581 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.7 mp -127.8 158.77 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 0.801 . . . . 0.0 109.328 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 13.0 m-85 -154.23 148.78 26.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.54 133.56 50.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 110.283 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -85.34 178.25 7.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 8.4 tt0 -88.17 23.51 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.549 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 13.5 m-85 -153.02 45.37 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.633 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER 50.8 35.92 13.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.272 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.82 114.04 27.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 p -76.99 148.72 36.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.597 1.186 . . . . 0.0 110.416 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.799 ' HB3' HG12 ' A' ' 46' ' ' VAL . 55.4 m95 -132.52 152.73 51.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.889 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -121.77 107.69 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -89.66 113.81 25.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 34' ' ' VAL . 53.6 t -100.34 81.61 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 p -52.74 117.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.419 1.074 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.435 ' C ' HD22 ' A' ' 42' ' ' LEU . 29.0 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.506 0.193 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.435 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.9 mm? -114.65 97.3 6.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.229 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.8 121.25 42.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.31 90.31 3.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.469 ' CG ' HD22 ' A' ' 102' ' ' LEU . 3.3 ttm180 -67.21 108.14 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.286 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.799 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.8 t -95.07 112.93 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.8 tt0 -110.33 129.97 55.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.575 ' O ' HG13 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -89.08 123.49 33.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.889 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -148.17 164.07 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.329 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.0 86.07 4.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.582 1.176 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.316 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -140.0 -58.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.575 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.0 mp -65.3 139.35 97.43 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.677 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.1 Cg_endo -74.99 167.63 26.63 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.465 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -76.92 -6.9 54.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.563 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -171.03 145.09 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.515 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.4 m0 -112.16 155.93 23.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 107.97 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 80' ' ' MET . 1.1 tp-100 -136.05 101.77 4.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.823 HD13 ' CE1' ' A' ' 79' ' ' TYR . 14.3 tp -51.62 122.44 8.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.356 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.585 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -109.42 -179.34 0.66 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.468 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -74.9 169.02 23.53 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 1.1 tt0 80.63 -78.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.544 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 1.5 tt0 167.19 53.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.718 ' CB ' HD11 ' A' ' 86' ' ' LEU . 42.6 mtt180 -147.9 160.43 42.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.823 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.2 m-30 -112.72 131.08 55.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.821 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -102.27 124.82 48.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.464 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 31.6 p30 -80.36 -175.07 4.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.314 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.97 2.95 17.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.663 ' O ' ' CB ' ' A' ' 84' ' ' SER . 21.9 t30 -85.46 -49.17 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.663 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 6.6 t 142.78 42.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.67 ' HB3' HD11 ' A' ' 105' ' ' LEU . 34.8 mtt180 -147.91 156.65 42.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.065 . . . . 0.0 110.316 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.821 HD22 ' HA ' ' A' ' 80' ' ' MET . 1.1 tm? -120.02 119.84 34.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.677 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 7.9 m95 -94.07 138.47 32.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 108.054 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.2 tt0 -95.43 122.53 38.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.082 HD12 HD21 ' A' ' 101' ' ' LEU . 9.3 mm -63.87 93.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -45.39 67.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.633 ' CE1' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.99 147.18 2.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.663 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.52 ' C ' HD13 ' A' ' 93' ' ' LEU . 74.2 t60 -141.53 112.54 7.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.118 . . . . 0.0 109.651 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.657 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -153.47 -171.25 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.646 ' HE2' ' C ' ' A' ' 97' ' ' GLY . 2.2 ttm -120.29 122.35 40.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.0 t -124.46 133.73 68.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 51.2 39.02 22.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.646 ' C ' ' HE2' ' A' ' 94' ' ' MET . . . 66.06 25.99 72.27 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.2 t -132.67 131.31 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -81.0 115.17 20.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.562 ' HG2' HD21 ' A' ' 102' ' ' LEU . 33.6 tt0 -108.76 109.86 21.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.082 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -105.51 122.1 45.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.363 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.633 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 2.2 mt -97.87 124.95 42.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.753 HD12 HG21 ' A' ' 46' ' ' VAL . 15.6 mt -115.02 128.55 56.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 88' ' ' GLN . 1.5 tppp? -118.1 128.23 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.675 HD22 ' CZ2' ' A' ' 87' ' ' TRP . 39.1 tp -106.68 120.2 41.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.4 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.6 mm? . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HB2' ' OH ' ' A' ' 79' ' ' TYR . 18.6 Cg_endo -74.96 173.78 13.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.494 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -74.97 93.93 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.548 1.815 . . . . 0.0 111.033 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.438 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 15.6 t70 -43.42 -27.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.805 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -152.35 150.13 29.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.563 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.489 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 60.2 mt -131.04 146.11 52.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.805 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -130.79 110.78 11.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 108.008 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.593 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 10.7 p -70.01 118.1 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -113.88 -32.91 5.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.601 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -129.86 162.03 29.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.468 ' O ' HD12 ' A' ' 22' ' ' ILE . 24.4 tt0 -55.27 112.29 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 70.72 22.29 78.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 20' ' ' GLU . 1.2 mp -124.88 144.79 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.3 m-85 -139.91 152.63 46.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.985 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -108.45 133.2 52.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 29' ' ' ARG . 13.4 t0 -82.06 -177.77 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 1.195 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 11.9 pt-20 -96.69 19.57 12.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.251 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -143.77 28.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 65.35 47.12 2.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 63.6 mtt180 -125.61 115.55 20.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.335 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.2 p -76.16 147.05 38.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 110.385 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.823 ' HB3' HG12 ' A' ' 46' ' ' VAL . 59.2 m95 -128.74 157.08 42.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.011 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.873 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -123.43 96.79 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.472 ' HB1' ' CD2' ' A' ' 67' ' ' LEU . . . -82.9 99.68 9.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.39 1.056 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.444 HG23 HG12 ' A' ' 32' ' ' VAL . 59.2 t -86.28 81.26 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 35' ' ' VAL . 5.4 p -47.04 101.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.748 ' C ' HD22 ' A' ' 42' ' ' LEU . 4.1 m-85 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.457 0.17 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.748 HD22 ' C ' ' A' ' 41' ' ' PHE . 2.9 mm? -124.03 102.41 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 0.1 OUTLIER -108.95 128.37 54.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.432 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -117.51 89.87 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.489 ' CG ' HD22 ' A' ' 102' ' ' LEU . 2.6 ttm180 -66.77 106.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.823 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.2 t -93.44 108.17 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.57 ' CD ' HG11 ' A' ' 98' ' ' VAL . 0.9 OUTLIER -105.65 126.77 52.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.525 ' O ' HG13 ' A' ' 98' ' ' VAL . 0.4 OUTLIER -85.95 120.19 27.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.332 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.873 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -154.33 161.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.58 117.09 25.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.2 -62.63 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.588 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.9 mp -66.38 143.16 98.13 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.646 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.96 167.67 26.53 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.482 1.78 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.575 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -74.96 -19.31 60.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.605 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -161.22 140.82 10.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 1.097 . . . . 0.0 111.042 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.493 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.7 m0 -106.51 155.15 19.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 108.001 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -136.62 101.19 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.806 HD13 ' CE1' ' A' ' 79' ' ' TYR . 9.2 tp -51.93 113.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.574 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -101.25 -177.79 0.6 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.984 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.574 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.0 Cg_endo -74.98 173.36 14.64 Favored 'Trans proline' 0 C--N 1.362 1.237 0 O-C-N 124.389 1.731 . . . . 0.0 110.973 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.4 OUTLIER 81.0 -80.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.613 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 16.1 tt0 167.44 50.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.449 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -147.72 164.43 33.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.245 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.806 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.2 m-85 -112.24 123.14 49.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.568 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -97.55 117.66 32.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.477 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 24.7 p-10 -70.83 -168.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -117.56 -0.73 11.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.636 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.7 t-20 -81.84 -51.17 8.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 2.7 m 146.96 40.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.887 ' HB3' HD11 ' A' ' 105' ' ' LEU . 11.0 mtt180 -145.35 161.35 39.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 78' ' ' ARG . 1.2 tt -126.38 117.33 22.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.926 ' CD1' HD13 ' A' ' 105' ' ' LEU . 9.4 m95 -91.49 134.34 34.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 107.988 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 104' ' ' LYS . 1.9 tt0 -92.1 121.34 33.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.072 HD12 HD21 ' A' ' 101' ' ' LEU . 8.0 mm -63.6 91.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -46.1 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.574 ' CE1' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.02 142.81 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.615 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.414 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . 74.4 t60 -136.15 114.83 11.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.67 -170.87 3.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.441 ' HE1' ' C ' ' A' ' 97' ' ' GLY . 4.1 ttm -123.68 128.47 49.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' VAL . 24.5 t -127.8 135.69 62.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 47.46 38.49 7.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.441 ' C ' ' HE1' ' A' ' 94' ' ' MET . . . 68.55 25.85 74.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.57 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.2 t -130.61 129.89 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 0.747 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -81.44 114.23 20.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.621 ' HG2' HD21 ' A' ' 102' ' ' LEU . 32.7 tt0 -107.13 105.58 15.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.072 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -102.09 121.4 42.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.621 HD21 ' HG2' ' A' ' 100' ' ' GLU . 2.7 mt -97.51 123.12 41.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.708 HD12 HG21 ' A' ' 46' ' ' VAL . 15.0 mt -113.18 129.31 56.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.5 tppp? -117.03 126.0 52.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.926 HD13 ' CD1' ' A' ' 87' ' ' TRP . 34.6 tp -106.32 117.86 35.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.3 mm? . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.499 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.97 173.88 13.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.807 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.521 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.2 Cg_endo -74.99 99.85 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -45.91 -25.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.818 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -157.64 147.1 20.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.62 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 53.1 mt -125.8 146.88 49.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.818 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 16.0 m0 -130.69 111.37 12.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 107.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.912 HG12 HD13 ' A' ' 69' ' ' LEU . 9.6 p -70.6 118.61 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -114.81 -33.5 5.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.553 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -130.3 155.68 45.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -50.01 111.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.38 20.37 79.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.461 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mp -124.24 138.59 53.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.592 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 13.3 m-85 -134.11 153.01 52.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.77 131.89 54.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' ARG . 17.5 t0 -79.06 178.78 7.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 15.1 tt0 -94.02 19.7 8.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -143.69 23.53 1.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.061 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.98 44.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.65 ' HB3' HE22 ' A' ' 48' ' ' GLN . 0.0 OUTLIER -122.19 117.62 26.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.273 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 p -79.98 140.9 36.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.864 ' HB3' HG12 ' A' ' 46' ' ' VAL . 56.2 m95 -124.02 150.51 44.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.849 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.4 t -113.25 88.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -81.63 113.25 19.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 45' ' ' ARG . 26.9 m -112.22 106.56 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 p -59.01 116.68 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.859 ' C ' HD22 ' A' ' 42' ' ' LEU . 8.7 m-85 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.543 0.211 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.859 HD22 ' C ' ' A' ' 41' ' ' PHE . 2.8 mm? -126.56 95.91 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 28.3 ttm180 -107.37 133.74 51.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.419 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -119.29 104.94 10.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.329 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.479 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 5.2 ttm180 -76.95 110.55 11.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.152 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.864 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -96.97 111.41 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.693 ' HG2' HD12 ' A' ' 49' ' ' ILE . 2.8 tt0 -106.96 133.79 51.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.656 ' NE2' ' CE2' ' A' ' 31' ' ' TRP . 2.5 tp-100 -87.5 125.65 34.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.344 1.027 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.849 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -152.94 170.43 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.87 99.03 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.1 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -130.88 -60.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.8 mp -66.06 141.01 97.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.674 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.05 171.38 18.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.912 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -76.52 -21.16 56.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.53 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 2.6 tmm? -158.52 143.97 16.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.485 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -109.22 154.36 22.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 108.037 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -135.81 96.41 3.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 74' ' ' TYR . 1.8 tp -44.53 125.86 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.764 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -125.91 -178.99 0.8 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.56 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -74.94 176.46 9.86 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.451 1.764 . . . . 0.0 111.003 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 52.0 mm-40 66.88 17.6 10.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 59.82 50.76 6.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.61 ' HB2' HD21 ' A' ' 86' ' ' LEU . 16.7 mtt180 -141.68 158.9 43.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.723 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.3 m-30 -111.25 127.67 55.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.583 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -99.76 117.01 33.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 83' ' ' ASN . 6.6 p30 -90.73 -179.93 5.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -99.76 1.76 43.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -79.14 -2.64 41.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER 84.75 35.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.088 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.839 ' HB3' HD11 ' A' ' 105' ' ' LEU . 1.1 mtt180 -142.07 162.7 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.61 HD21 ' HB2' ' A' ' 78' ' ' ARG . 0.8 OUTLIER -125.4 113.16 17.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 1.007 ' CD1' HD13 ' A' ' 105' ' ' LEU . 7.7 m95 -86.29 140.09 30.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 108.078 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.7 tt0 -97.32 122.79 40.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.024 HD12 HD21 ' A' ' 101' ' ' LEU . 5.8 mm -63.47 92.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.89 -44.37 66.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.605 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.07 142.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.622 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 66.8 t60 -140.52 113.28 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.492 ' CD2' ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -159.25 -176.72 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.401 ' HE1' ' C ' ' A' ' 97' ' ' GLY . 2.5 ttm -110.0 124.06 50.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.068 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.469 HG23 HD23 ' A' ' 93' ' ' LEU . 17.9 t -124.17 132.99 70.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 49.7 37.98 14.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.379 1.049 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.401 ' C ' ' HE1' ' A' ' 94' ' ' MET . . . 68.88 25.21 75.43 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.1 t -133.62 130.6 56.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -79.97 115.03 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.562 ' HG2' HD21 ' A' ' 102' ' ' LEU . 33.8 tt0 -109.56 107.77 17.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.024 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -102.6 122.06 43.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.605 ' CD1' ' CD2' ' A' ' 91' ' ' HIS . 2.6 mt -98.26 125.96 43.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.723 HD12 HG21 ' A' ' 46' ' ' VAL . 23.3 mt -116.58 125.8 52.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -114.98 128.22 56.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 109.225 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 1.007 HD13 ' CD1' ' A' ' 87' ' ' TRP . 32.6 tp -108.18 127.92 54.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 106' ' ' LEU . 5.1 mp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 173.41 14.55 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.471 1.774 . . . . 0.0 111.035 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.2 Cg_endo -75.02 96.56 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -43.72 -27.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.809 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -155.02 148.59 25.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 66.9 mt -128.04 147.15 50.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.809 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.8 m0 -130.7 111.02 11.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 107.985 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.814 HG12 HD13 ' A' ' 69' ' ' LEU . 7.0 p -71.17 120.11 18.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.404 1.065 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -114.97 -33.27 5.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.625 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.57 157.31 43.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -52.75 112.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.299 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.469 ' C ' HD12 ' A' ' 22' ' ' ILE . . . 73.73 29.38 63.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.587 1.18 . . . . 0.0 111.068 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.0 mp -134.31 151.98 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.624 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 14.0 m-85 -148.97 150.01 32.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 16' ' ' TRP . 2.2 ttp180 -105.07 132.88 50.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' ARG . 14.0 t0 -80.16 178.98 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.553 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 11.5 tt0 -92.95 23.97 3.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -150.47 30.46 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 65.57 42.35 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.343 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -117.84 115.18 24.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.9 p -76.82 145.74 38.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.454 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.801 ' HB3' HG12 ' A' ' 46' ' ' VAL . 59.6 m95 -129.22 159.13 37.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 108.009 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.9 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -126.36 101.35 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -87.83 119.96 28.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 45' ' ' ARG . 98.6 t -111.32 99.7 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.7 p -62.23 120.9 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.09 . . . . 0.0 110.329 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.866 ' C ' HD22 ' A' ' 42' ' ' LEU . 24.6 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.507 0.194 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.866 HD22 ' C ' ' A' ' 41' ' ' PHE . 2.2 mm? -125.51 90.73 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.625 HH21 ' HZ1' ' A' ' 104' ' ' LYS . 24.8 ttm180 -102.08 126.28 48.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.443 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -113.44 84.96 2.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.575 ' HG3' HD22 ' A' ' 102' ' ' LEU . 6.3 ttm180 -60.47 108.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.153 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.801 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.4 t -96.5 115.72 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.584 ' CD ' HG11 ' A' ' 98' ' ' VAL . 2.5 tt0 -111.47 126.9 55.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.068 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.469 ' C ' HG23 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -85.5 119.4 25.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.9 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -154.48 160.85 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -89.08 114.3 25.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' A' ' 65' ' ' SER . 5.6 p . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -135.76 -54.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.601 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.8 mp -69.41 138.37 88.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.664 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.99 175.12 11.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.525 1.803 . . . . 0.0 111.053 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.814 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -81.0 -22.89 39.07 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.61 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -154.97 142.16 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.518 ' CE2' HD13 ' A' ' 103' ' ' LEU . 1.5 m0 -108.44 157.71 18.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' MET . 1.2 tp-100 -137.68 103.47 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.847 HD13 ' HE1' ' A' ' 79' ' ' TYR . 10.4 tp -54.12 113.63 1.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.575 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.76 -178.73 0.76 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.532 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.03 173.18 14.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.437 1.756 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.6 OUTLIER 79.0 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.416 1.072 . . . . 0.0 110.311 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 43.4 tt0 171.5 48.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.639 ' CB ' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -145.49 166.51 25.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.847 ' HE1' HD13 ' A' ' 73' ' ' LEU . 2.2 m-85 -115.42 135.24 54.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.785 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -106.01 127.32 53.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 81' ' ' ASP . 36.2 p30 -93.6 -174.33 3.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.62 -3.12 18.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.525 ' O ' ' CB ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -80.73 -3.46 50.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 1.1 t 87.79 39.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.846 ' HB3' HD11 ' A' ' 105' ' ' LEU . 29.2 mtt180 -143.34 149.26 37.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.785 HD22 ' HA ' ' A' ' 80' ' ' MET . 1.0 OUTLIER -114.48 120.57 40.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.893 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.5 m95 -95.71 135.09 37.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 104' ' ' LYS . 1.3 tt0 -91.81 125.08 36.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.98 ' CD1' HD21 ' A' ' 101' ' ' LEU . 8.6 mm -64.15 85.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 109.322 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.412 ' CG ' ' HB2' ' A' ' 104' ' ' LYS . 2.8 mm-40 -47.43 -46.98 26.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.567 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.96 137.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.592 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -132.93 114.37 13.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 109.604 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.445 HD21 ' ND1' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -152.95 -171.22 3.86 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.419 ' HE1' ' C ' ' A' ' 97' ' ' GLY . 5.3 ttm -127.89 133.51 49.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 98' ' ' VAL . 44.9 t -134.47 138.07 50.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.6 mmp_? 48.34 38.3 10.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.419 ' C ' ' HE1' ' A' ' 94' ' ' MET . . . 67.9 24.84 74.36 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.584 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.1 t -128.95 132.04 67.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -84.57 117.48 23.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.56 ' HG2' HD21 ' A' ' 102' ' ' LEU . 2.2 tt0 -109.06 103.21 12.18 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.98 HD21 ' CD1' ' A' ' 89' ' ' ILE . 3.3 tt -101.33 120.87 40.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.628 HD23 ' N ' ' A' ' 102' ' ' LEU . 2.1 mt -97.7 122.39 40.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.612 HD12 HG21 ' A' ' 46' ' ' VAL . 21.9 mt -111.95 126.53 55.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.625 ' HZ1' HH21 ' A' ' 43' ' ' ARG . 1.2 tppt? -116.92 125.2 51.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.893 HD13 ' CD1' ' A' ' 87' ' ' TRP . 31.8 tp -103.41 112.37 25.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.753 HD23 ' H ' ' A' ' 106' ' ' LEU . 2.4 pt? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.63 15.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.568 1.825 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.525 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.2 Cg_endo -75.07 92.14 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.464 1.771 . . . . 0.0 111.034 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.512 ' HA ' ' CB ' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -43.5 -26.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.802 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -150.23 148.07 28.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.621 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.5 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 62.3 mt -130.63 147.24 52.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.802 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.2 m0 -131.8 110.23 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.018 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.791 HG12 HD13 ' A' ' 69' ' ' LEU . 9.8 p -70.32 119.09 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -113.7 -27.58 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.05 159.34 42.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -54.21 111.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 110.384 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 73.5 22.85 78.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.2 mp -127.67 142.82 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.0 m-85 -137.84 155.32 49.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 111.023 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -110.32 129.85 55.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.476 ' CB ' ' HB2' ' A' ' 29' ' ' ARG . 21.4 t0 -80.74 177.09 9.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.39 21.18 4.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -144.4 28.7 1.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 63.71 46.07 4.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.476 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -125.66 114.35 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.358 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.437 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 5.4 p -74.98 142.7 43.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.426 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.815 ' HB3' HG12 ' A' ' 46' ' ' VAL . 49.8 m95 -122.09 153.95 37.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.939 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -116.44 100.55 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -86.51 103.78 15.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.3 t -93.54 84.6 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -47.46 110.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.247 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.078 . . . . 0.0 110.261 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' C ' HD22 ' A' ' 42' ' ' LEU . 8.9 m-85 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.462 0.172 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.441 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.9 mm? -118.96 115.62 24.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 49.3 ttp180 -121.09 129.14 53.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.91 93.67 4.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -69.58 107.38 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.815 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.4 t -95.75 111.81 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -107.72 130.25 54.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.478 ' NE2' ' CD1' ' A' ' 31' ' ' TRP . 0.3 OUTLIER -88.02 121.21 30.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.342 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.939 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -150.24 163.92 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 -96.25 93.22 6.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.6 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -125.78 -63.11 1.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 110.244 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.559 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.9 mp -65.23 140.66 97.95 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.676 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.5 Cg_endo -74.88 164.46 33.44 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.791 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -72.27 -17.93 61.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.523 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 1.9 tmm? -160.92 143.98 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.504 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -109.84 154.56 22.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 80' ' ' MET . 1.2 tp-100 -133.86 97.02 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.842 HD13 ' CE1' ' A' ' 79' ' ' TYR . 13.5 tp -46.86 117.85 1.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.581 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -102.59 -179.15 0.74 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.01 165.6 30.95 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 2.8 tt0 82.4 -76.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.553 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 2.2 tt0 168.43 50.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.513 ' CB ' HD11 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -142.05 161.13 38.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.842 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-85 -115.19 119.32 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.581 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -93.31 129.43 39.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 5.3 p30 -100.09 177.73 5.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -98.67 1.47 46.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -79.87 -5.4 55.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 1.8 t 88.47 32.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 109.977 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.686 ' HB3' HD11 ' A' ' 105' ' ' LEU . 2.3 mtt180 -137.48 156.1 48.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.513 HD11 ' CB ' ' A' ' 78' ' ' ARG . 2.4 tm? -119.78 117.22 27.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.862 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 9.8 m95 -91.31 139.5 30.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 107.996 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.575 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.7 tt0 -99.88 120.79 40.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.035 HD12 HD21 ' A' ' 101' ' ' LEU . 8.8 mm -60.43 95.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.394 1.059 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -52.78 -47.45 67.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.556 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -173.55 135.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.617 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -127.43 115.67 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.612 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.574 HD23 ' C ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -150.55 177.57 9.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.491 ' CE ' ' HG3' ' A' ' 99' ' ' GLN . 5.5 ttm -128.08 139.42 52.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 111.028 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 98' ' ' VAL . 77.1 t -145.64 141.85 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 47.5 39.09 8.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.36 26.12 72.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.482 ' CG1' ' OE1' ' A' ' 47' ' ' GLN . 2.0 t -128.81 132.77 67.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.491 ' HG3' ' CE ' ' A' ' 94' ' ' MET . 6.2 mt-30 -97.44 118.07 33.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 110.307 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.574 ' HG2' HD21 ' A' ' 102' ' ' LEU . 42.8 tt0 -108.07 104.38 13.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.035 HD21 HD12 ' A' ' 89' ' ' ILE . 2.2 tt -100.17 120.13 39.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.574 HD21 ' HG2' ' A' ' 100' ' ' GLU . 2.5 mt -96.35 120.37 36.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.222 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.811 HD12 HG21 ' A' ' 46' ' ' VAL . 14.8 mt -110.7 130.9 55.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.575 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -119.27 131.31 55.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.862 HD22 ' CZ2' ' A' ' 87' ' ' TRP . 24.7 tp -110.19 123.58 50.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.1 mm? . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HB2' ' OH ' ' A' ' 79' ' ' TYR . 18.1 Cg_endo -75.01 173.87 13.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.1 Cg_endo -75.07 93.85 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -41.64 -30.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.742 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -150.6 148.33 28.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.594 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 59.5 mt -128.9 147.57 50.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.742 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.0 m0 -131.74 111.65 11.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 107.941 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.6 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 8.0 p -71.43 120.1 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.416 ' HB2' ' NH1' ' A' ' 24' ' ' ARG . 2.0 t-80 -116.2 -34.31 4.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.58 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.24 161.25 29.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.599 ' O ' HD12 ' A' ' 22' ' ' ILE . 13.2 tt0 -54.94 111.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 71.96 27.96 69.54 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 20' ' ' GLU . 2.2 mp -128.25 157.76 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.0 m-85 -154.06 148.06 25.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -104.17 131.68 51.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -80.82 178.84 8.13 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.424 1.078 . . . . 0.0 109.339 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.48 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 14.4 pt-20 -91.73 19.01 6.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.48 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 16.1 m-85 -147.18 38.31 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 57.79 44.2 20.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -120.27 113.79 20.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.2 p -77.8 143.18 38.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.812 ' HB3' HG12 ' A' ' 46' ' ' VAL . 58.5 m95 -126.57 157.68 38.21 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.896 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -124.83 98.46 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.19 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -84.53 111.36 19.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.432 HG11 ' NH2' ' A' ' 45' ' ' ARG . 69.2 t -100.31 98.52 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.645 HG21 ' OE1' ' A' ' 66' ' ' GLN . 7.6 p -67.47 124.12 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.695 ' C ' HD22 ' A' ' 42' ' ' LEU . 3.5 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.475 0.179 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.695 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.8 mm? -124.81 84.27 2.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.516 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 7.1 ttp180 -97.8 116.53 30.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.443 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -109.23 87.13 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.452 ' CG ' HD22 ' A' ' 102' ' ' LEU . 6.5 ttm180 -63.82 106.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.812 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.3 t -93.26 110.43 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.529 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.0 OUTLIER -108.61 127.05 53.62 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.475 ' O ' HG13 ' A' ' 98' ' ' VAL . 0.6 OUTLIER -85.44 120.31 26.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.286 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.896 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -154.32 163.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.69 114.07 23.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.645 ' OE1' HG21 ' A' ' 35' ' ' VAL . 58.9 mt-30 -126.35 -60.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.586 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.8 mp -67.05 141.87 96.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.652 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -75.05 169.02 23.52 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.513 1.797 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.842 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -74.91 -22.4 58.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.585 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 2.3 ttt -157.75 144.01 17.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.51 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.6 m0 -109.05 155.38 20.99 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -136.7 95.68 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.846 HD13 ' HE1' ' A' ' 79' ' ' TYR . 11.6 tp -46.81 116.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.597 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -102.46 -177.74 0.58 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.05 -176.88 3.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.502 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.2 OUTLIER 70.31 -79.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.539 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 6.7 tt0 167.15 54.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.651 ' HB2' HD21 ' A' ' 86' ' ' LEU . 26.5 mtt85 -153.47 164.6 37.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.846 ' HE1' HD13 ' A' ' 73' ' ' LEU . 2.2 m-30 -111.65 125.62 54.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 111.027 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.597 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -100.77 116.1 31.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 111.032 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -87.02 -173.24 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -106.97 1.91 24.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.8 t-20 -82.53 1.21 39.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.7 OUTLIER 81.68 40.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.531 ' HB3' HD11 ' A' ' 105' ' ' LEU . 13.2 mmt85 -144.26 160.97 40.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.651 HD21 ' HB2' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -126.87 111.18 13.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.735 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 8.4 m95 -86.22 135.45 33.56 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.585 1.178 . . . . 0.0 107.918 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 104' ' ' LYS . 1.8 tt0 -93.76 118.33 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.256 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.099 HD12 HD21 ' A' ' 101' ' ' LEU . 9.6 mm -58.85 90.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -45.77 52.89 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.594 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.48 140.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.585 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.404 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . 71.9 t60 -135.77 113.93 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.576 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.65 -171.37 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.357 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.7 ttm -121.57 129.11 52.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' VAL . 39.7 t -132.74 138.76 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 47.41 39.85 9.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.13 26.48 71.53 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.529 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.2 t -133.61 132.84 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -83.89 115.62 22.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.594 ' HG2' HD21 ' A' ' 102' ' ' LEU . 33.1 tt0 -107.53 107.31 18.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.099 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -101.88 121.98 43.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.594 ' CD1' ' CD2' ' A' ' 91' ' ' HIS . 2.9 mt -97.73 122.93 41.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.711 HD12 HG21 ' A' ' 46' ' ' VAL . 16.7 mt -113.9 127.54 56.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.362 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -117.05 127.27 53.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.735 HD22 ' CZ2' ' A' ' 87' ' ' TRP . 21.6 tp -107.1 115.96 31.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.929 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.497 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.93 174.02 13.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.444 1.76 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.523 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -74.99 96.5 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.568 1.825 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -43.77 -28.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.793 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -152.89 149.49 28.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.589 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.513 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 70.1 mt -129.57 145.82 51.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.793 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.3 m0 -130.44 110.87 11.79 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.771 HG12 HD13 ' A' ' 69' ' ' LEU . 7.2 p -71.9 121.18 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -118.5 -33.3 4.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 109.595 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -124.44 165.32 17.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.29 109.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.1 30.11 65.78 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.436 1.085 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.1 mp -125.51 160.63 31.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 109.263 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.0 m-85 -155.35 142.71 19.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -99.17 132.6 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 23.6 t0 -84.54 178.62 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -89.78 24.63 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.538 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 11.4 m-85 -156.34 48.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.158 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.538 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 3.9 pt20 48.38 42.51 18.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.342 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.8 110.73 18.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.565 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 2.1 p -78.84 140.25 38.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.819 ' HB3' HG12 ' A' ' 46' ' ' VAL . 49.8 m95 -122.68 155.92 35.44 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.962 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -122.95 95.19 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -79.58 105.35 10.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.414 HG23 HG12 ' A' ' 32' ' ' VAL . 75.7 t -93.68 92.06 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 35' ' ' VAL . 7.6 p -60.17 111.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.401 ' C ' HD22 ' A' ' 42' ' ' LEU . 12.5 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.468 0.175 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.401 HD22 ' C ' ' A' ' 41' ' ' PHE . 4.2 mm? -115.31 102.88 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 25.2 ttp85 -104.26 117.68 34.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.416 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -108.34 90.44 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.473 ' CG ' HD22 ' A' ' 102' ' ' LEU . 3.6 ttm180 -68.13 107.48 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.819 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.7 t -95.09 111.3 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.4 tt0 -114.3 130.29 56.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.565 ' NE2' ' O ' ' A' ' 30' ' ' THR . 2.2 tm0? -87.77 125.83 34.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.356 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.962 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -148.74 161.85 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.533 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -81.16 110.25 16.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 50' ' ' GLN . 21.3 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -128.77 -65.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.2 mp -65.91 140.34 97.14 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.92 172.45 16.31 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.441 1.758 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.771 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -78.74 -22.34 46.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.563 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -156.43 141.92 17.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.506 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -108.17 158.81 17.11 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -140.7 101.69 4.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 0.0 110.25 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 74' ' ' TYR . 3.7 tp -51.04 121.37 5.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.619 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -109.04 -177.17 0.45 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.582 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.99 -177.73 3.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.567 1.825 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 1.0 OUTLIER 70.56 -77.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 76' ' ' GLU . 6.5 pt-20 164.65 50.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.611 ' HB2' HD21 ' A' ' 86' ' ' LEU . 7.3 mtp180 -147.86 161.25 41.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.646 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.3 m-30 -107.89 125.81 51.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.573 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -100.52 115.26 29.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' A' ' 81' ' ' ASP . 33.8 p30 -82.78 -174.79 5.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -107.91 -3.06 19.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 84' ' ' SER . 36.7 t30 -80.08 -3.01 46.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 88.3 39.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.059 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.713 ' HD3' HD21 ' A' ' 105' ' ' LEU . 1.4 mtp180 -142.68 151.85 41.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.107 . . . . 0.0 110.283 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -119.78 115.1 23.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.688 ' CE2' HD22 ' A' ' 105' ' ' LEU . 8.6 m95 -90.55 137.98 31.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 108.063 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 90' ' ' GLN . 4.6 tt0 -94.19 118.87 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.064 HD12 HD21 ' A' ' 101' ' ' LEU . 10.3 mm -57.33 89.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.4 OUTLIER -48.95 -46.96 44.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.589 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -173.18 139.65 0.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.649 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.497 ' NE2' ' HB3' ' A' ' 11' ' ' PRO . 77.0 t60 -135.62 112.28 10.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.616 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.538 HD13 HG23 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -153.93 -172.44 4.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 2.3 ttm -110.44 124.16 51.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 111.041 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.538 HG23 HD13 ' A' ' 93' ' ' LEU . 14.9 t -125.62 129.5 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 48.28 37.34 8.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.245 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 68.37 24.63 74.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.2 t -133.22 108.84 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.439 0.729 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.634 ' HG3' ' CH2' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -61.15 112.82 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.511 ' HG2' HD21 ' A' ' 102' ' ' LEU . 31.1 tt0 -105.83 117.61 34.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.064 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -107.27 122.96 47.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.365 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.589 ' CD1' ' CD2' ' A' ' 91' ' ' HIS . 3.0 mt -99.71 122.5 42.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.6 HD12 HG21 ' A' ' 46' ' ' VAL . 21.4 mt -111.83 130.46 55.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.34 119.14 32.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.713 HD21 ' HD3' ' A' ' 85' ' ' ARG . 13.2 tp -95.57 118.89 33.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.606 1.191 . . . . 0.0 109.312 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.783 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.6 Cg_endo -74.91 94.69 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 3.4 t70 -42.82 -28.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.787 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.24 149.38 29.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.492 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 63.5 mt -130.36 147.1 52.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.787 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.0 m0 -131.55 110.61 11.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.602 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.9 p -70.17 118.64 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.287 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -113.89 -32.06 6.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.607 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.03 156.21 44.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -54.24 110.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 76.03 29.32 59.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.127 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.1 mp -136.41 154.37 32.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.602 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.4 m-85 -148.05 151.52 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.81 133.81 49.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.1 -176.72 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -96.87 17.08 17.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -142.86 30.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 65.44 43.65 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.71 ' HB3' HE22 ' A' ' 48' ' ' GLN . 3.0 mtt-85 -119.63 115.84 24.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.1 p -78.04 146.19 35.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 110.334 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.829 ' HB3' HG12 ' A' ' 46' ' ' VAL . 59.2 m95 -128.94 157.47 41.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 107.996 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.915 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -122.47 96.67 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -82.22 111.18 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.699 HG11 ' NH2' ' A' ' 45' ' ' ARG . 65.1 t -100.24 85.27 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 35' ' ' VAL . 11.9 p -52.8 108.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.408 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.1 m-85 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.5 0.19 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 41' ' ' PHE . 13.0 mt -126.38 128.53 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 11.6 ttp85 -130.3 125.7 35.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.01 88.11 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.699 ' NH2' HG11 ' A' ' 34' ' ' VAL . 6.1 ttm180 -66.81 108.2 2.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.281 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.829 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -95.54 111.15 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.523 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.1 tt0 -108.02 128.01 54.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.71 HE22 ' HB3' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -86.67 121.98 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.366 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.915 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -155.49 161.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -89.22 105.86 18.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -133.35 -56.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.9 mp -66.06 142.53 98.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.0 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.669 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -85.92 -4.92 59.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.709 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 3.6 ttp -173.76 139.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.46 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.8 m0 -108.36 155.55 20.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 108.057 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -137.71 98.07 3.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.777 HD13 ' HE1' ' A' ' 79' ' ' TYR . 11.8 tp -49.36 112.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.74 -177.45 0.61 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.91 169.56 22.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER 82.92 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.6 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 1.1 tt0 164.48 56.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -152.67 165.67 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.777 ' HE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-30 -114.56 126.64 55.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.559 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 1.3 ttt -99.56 121.73 41.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.486 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 26.2 p-10 -74.66 -168.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -117.11 -1.04 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.633 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.0 t-20 -81.39 -50.95 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 3.5 t 146.91 41.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.913 ' HB3' HD11 ' A' ' 105' ' ' LEU . 7.5 mtm-85 -148.08 160.17 43.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 79' ' ' TYR . 1.5 tt -124.14 118.63 27.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.372 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.97 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.2 m95 -91.18 137.9 32.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 108.052 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.8 tt0 -95.12 125.88 40.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.06 HD12 HD21 ' A' ' 101' ' ' LEU . 5.6 mm -65.05 92.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -45.6 70.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.586 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.99 141.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.657 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.402 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . 70.9 t60 -137.72 114.13 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.4 -170.76 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.2 ttm -130.12 130.48 44.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.5 t -135.28 140.3 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 47.53 39.78 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.32 26.11 71.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.523 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.2 t -129.94 133.82 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -91.18 114.68 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.617 ' HG2' HD21 ' A' ' 102' ' ' LEU . 31.2 tt0 -105.69 106.56 17.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.06 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -102.14 122.41 44.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.617 HD21 ' HG2' ' A' ' 100' ' ' GLU . 2.9 mt -98.74 124.46 43.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.736 HD12 HG21 ' A' ' 46' ' ' VAL . 10.0 mt -113.75 130.63 56.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.0 tppt? -119.72 124.68 46.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.97 HD13 ' CD1' ' A' ' 87' ' ' TRP . 47.2 tp -102.53 136.1 42.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 3' ' ' MET . 44.5 t -121.72 -41.25 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.985 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.465 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 78.43 82.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.943 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 162.22 10.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.66 -132.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 7' ' ' ASP . 2.1 tp10 -159.2 138.53 11.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.274 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 26.5 m-20 -87.88 167.48 13.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 94' ' ' MET . 34.5 t -42.32 162.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.43 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -81.33 -66.25 1.62 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.32 141.27 8.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.783 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.6 Cg_endo -74.91 94.69 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 3.4 t70 -42.82 -28.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.787 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.24 149.38 29.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.492 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 63.5 mt -130.36 147.1 52.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.787 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.0 m0 -131.55 110.61 11.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.602 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.9 p -70.17 118.64 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.287 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.498 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 1.4 t60 -113.89 -32.06 6.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.03 156.21 44.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.431 ' HA ' ' HB3' ' A' ' 60' ' ' SER . 9.6 tt0 -54.24 110.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 76.03 29.32 59.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.127 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.1 mp -136.41 154.37 32.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.602 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.4 m-85 -148.05 151.52 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.81 133.81 49.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.1 -176.72 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -96.87 17.08 17.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -142.86 30.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 65.44 43.65 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.71 ' HB3' HE22 ' A' ' 48' ' ' GLN . 3.0 mtt-85 -119.63 115.84 24.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.1 p -78.04 146.19 35.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 110.334 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.829 ' HB3' HG12 ' A' ' 46' ' ' VAL . 59.2 m95 -128.94 157.47 41.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 107.996 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.915 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -122.47 96.67 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -82.22 111.18 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.699 HG11 ' NH2' ' A' ' 45' ' ' ARG . 65.1 t -100.24 85.27 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 35' ' ' VAL . 11.9 p -52.8 108.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -116.38 88.98 3.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -48.02 120.54 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -80.3 162.7 24.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.245 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.6 m -49.45 -36.16 21.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.358 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.78 39.49 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.187 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.408 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.1 m-85 -163.86 -172.49 2.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 41' ' ' PHE . 13.0 mt -126.38 128.53 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 11.6 ttp85 -130.3 125.7 35.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.01 88.11 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.699 ' NH2' HG11 ' A' ' 34' ' ' VAL . 6.1 ttm180 -66.81 108.2 2.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.281 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.829 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -95.54 111.15 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.523 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.1 tt0 -108.02 128.01 54.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.71 HE22 ' HB3' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -86.67 121.98 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.366 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.915 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -155.49 161.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -89.22 105.86 18.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 19.4 m -143.59 142.21 20.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.98 131.01 13.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.453 HD22 ' CG ' ' A' ' 18' ' ' HIS . 2.3 mt -75.86 113.29 13.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.94 -108.24 0.18 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.498 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 0.6 OUTLIER -65.53 -175.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.259 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -160.01 64.45 0.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.06 -141.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.528 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 2.8 mtt180 -136.62 58.14 18.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -74.92 -42.69 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.783 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.431 ' HB3' ' HA ' ' A' ' 20' ' ' GLU . 9.9 p -65.17 -40.89 94.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.593 ' CE1' HG11 ' A' ' 17' ' ' VAL . 0.7 OUTLIER -70.91 -30.59 66.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 tt -80.85 -38.59 27.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.86 -69.43 0.6 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.51 HG21 HG21 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -72.67 -59.46 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.407 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 5.1 p 65.07 52.96 1.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -133.35 -56.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.9 mp -66.06 142.53 98.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.0 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.669 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -85.92 -4.92 59.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.709 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 3.6 ttp -173.76 139.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.46 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.8 m0 -108.36 155.55 20.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 108.057 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -137.71 98.07 3.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.777 HD13 ' HE1' ' A' ' 79' ' ' TYR . 11.8 tp -49.36 112.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.74 -177.45 0.61 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.91 169.56 22.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER 82.92 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.6 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 1.1 tt0 164.48 56.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -152.67 165.67 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.777 ' HE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-30 -114.56 126.64 55.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.559 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 1.3 ttt -99.56 121.73 41.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.486 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 26.2 p-10 -74.66 -168.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -117.11 -1.04 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.633 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.0 t-20 -81.39 -50.95 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 3.5 t 146.91 41.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.913 ' HB3' HD11 ' A' ' 105' ' ' LEU . 7.5 mtm-85 -148.08 160.17 43.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 79' ' ' TYR . 1.5 tt -124.14 118.63 27.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.372 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.97 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.2 m95 -91.18 137.9 32.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 108.052 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.8 tt0 -95.12 125.88 40.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.06 HD12 HD21 ' A' ' 101' ' ' LEU . 5.6 mm -65.05 92.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -45.6 70.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.586 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.99 141.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.657 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.402 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . 70.9 t60 -137.72 114.13 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.4 -170.76 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.503 ' HB2' HG22 ' A' ' 8' ' ' VAL . 4.2 ttm -130.12 130.48 44.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.5 t -135.28 140.3 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 47.53 39.78 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.32 26.11 71.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.523 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.2 t -129.94 133.82 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -91.18 114.68 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.617 ' HG2' HD21 ' A' ' 102' ' ' LEU . 31.2 tt0 -105.69 106.56 17.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.06 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -102.14 122.41 44.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.617 HD21 ' HG2' ' A' ' 100' ' ' GLU . 2.9 mt -98.74 124.46 43.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.736 HD12 HG21 ' A' ' 46' ' ' VAL . 10.0 mt -113.75 130.63 56.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.0 tppt? -119.72 124.68 46.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.97 HD13 ' CD1' ' A' ' 87' ' ' TRP . 47.2 tp -102.53 136.1 42.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.14 160.18 61.09 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 108' ' ' ASP . 18.4 Cg_endo -74.94 73.72 4.2 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 107' ' ' PRO . 21.9 t0 40.12 90.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.0 OUTLIER -38.89 119.52 0.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 109' ' ' ASP . 1.7 mtt-85 -35.11 129.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.1 131.1 59.64 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 141.46 26.54 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -131.87 136.47 8.79 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 114' ' ' ILE . 1.2 tt -61.03 99.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 0.79 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -88.62 113.04 23.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.614 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.88 99.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.242 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 p -138.49 -63.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 0.728 . . . . 0.0 110.05 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.3 ttm 71.27 78.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.61 154.49 39.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.61 -134.46 3.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -157.9 138.77 13.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 0.801 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -148.72 155.28 40.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.647 HG12 ' H ' ' A' ' 9' ' ' GLY . 3.1 t -54.46 175.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.647 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -123.33 -60.96 0.19 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.2 129.62 7.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.774 . . . . 0.0 109.242 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 174.54 12.61 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.511 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -74.99 89.76 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.495 1.787 . . . . 0.0 110.942 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.445 ' HA ' ' CB ' ' A' ' 73' ' ' LEU . 35.2 t70 -41.87 -29.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.727 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -147.98 149.61 32.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.558 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.468 HD22 ' HB3' ' A' ' 23' ' ' TYR . 58.6 mt -130.99 148.11 52.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.727 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -132.72 115.14 14.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.6 1.188 . . . . 0.0 108.023 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.843 HG12 HD13 ' A' ' 69' ' ' LEU . 8.2 p -74.13 121.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.343 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.505 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 1.8 t-160 -117.02 -36.29 3.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 109.618 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -128.48 161.5 29.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.663 ' O ' HD12 ' A' ' 22' ' ' ILE . 23.3 mt-10 -50.7 113.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 66.06 21.88 70.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.663 HD12 ' O ' ' A' ' 20' ' ' GLU . 1.2 mp -119.63 140.41 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.318 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.583 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.3 m-85 -136.3 152.26 50.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -110.16 132.77 53.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.377 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 26' ' ' GLU . 12.7 t0 -80.55 -176.88 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.491 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 6.1 pt-20 -95.84 19.14 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.258 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -146.43 31.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.396 1.06 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 65.84 41.7 3.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.45 116.05 26.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.49 ' N ' HE22 ' A' ' 48' ' ' GLN . 13.6 p -79.4 145.33 33.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.891 ' HB3' HG12 ' A' ' 46' ' ' VAL . 62.5 m95 -130.67 145.18 51.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 108.017 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.971 ' CG2' HD11 ' A' ' 49' ' ' ILE . 24.4 t -112.67 91.28 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -73.97 105.25 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 34' ' ' VAL . 62.8 t -91.16 76.49 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 p -44.49 111.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.72 93.36 3.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.16 118.75 5.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.55 162.67 29.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.3 m -47.72 -34.61 8.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 110.468 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.83 37.38 0.41 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.021 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.531 ' CE1' HD12 ' A' ' 106' ' ' LEU . 10.5 m-85 -162.04 -176.62 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 41' ' ' PHE . 2.4 mp -114.14 141.87 46.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.476 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 8.6 ttp180 -151.62 117.07 5.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.84 95.77 5.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.419 ' HD3' ' OE2' ' A' ' 100' ' ' GLU . 2.6 ttm180 -70.14 106.17 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.891 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -93.54 104.16 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.61 ' O ' HD13 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -105.04 133.1 50.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.347 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.49 HE22 ' N ' ' A' ' 30' ' ' THR . 24.3 tp60 -87.97 122.88 32.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.971 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -147.47 165.16 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.91 77.9 7.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.2 m -115.73 131.34 23.73 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 169.87 21.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.771 . . . . 0.0 111.067 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.408 HD23 HG21 ' A' ' 22' ' ' ILE . 1.1 mp -133.95 146.64 50.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.23 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.412 ' O ' ' CG ' ' A' ' 55' ' ' ASP . . . -161.1 29.56 0.31 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.441 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.5 OUTLIER -168.95 103.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 0.726 . . . . 0.0 109.333 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.505 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . . . -106.64 37.02 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.9 -153.5 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.546 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -137.22 56.36 12.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.546 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.0 Cg_endo -75.15 -72.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.412 1.743 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.409 ' HA ' ' CB ' ' A' ' 63' ' ' LEU . 34.5 t -68.53 -19.83 64.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.428 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 7.1 m170 -57.61 -42.09 82.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.654 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.92 -21.98 17.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.367 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.409 ' CB ' ' HA ' ' A' ' 60' ' ' SER . 0.3 OUTLIER -68.7 -63.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 109.269 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.5 m -64.48 -62.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.4 p 69.0 39.89 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.97 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -129.19 -62.58 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.606 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.4 mp -69.23 142.08 92.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.688 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.5 Cg_endo -74.95 166.39 29.33 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.811 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.843 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.63 -20.63 60.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.594 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 2.9 ttp -159.3 141.03 13.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.488 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -106.54 158.14 17.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 107.974 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -139.6 101.84 4.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.091 . . . . 0.0 110.26 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.628 HD12 ' N ' ' A' ' 74' ' ' TYR . 4.3 tp -48.37 122.34 5.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.628 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -122.79 174.76 3.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.577 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.03 166.45 29.14 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER 80.87 12.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 63.35 53.33 2.2 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.556 ' HB2' HD21 ' A' ' 86' ' ' LEU . 21.9 mtp180 -148.79 155.81 41.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.798 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.4 m-30 -106.32 126.22 51.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.588 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -99.24 117.59 34.04 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.515 1.134 . . . . 0.0 111.042 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.439 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 30.1 p30 -85.52 -172.11 3.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -110.94 -1.84 16.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 84' ' ' SER . 22.3 t30 -80.04 -4.16 51.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.8 OUTLIER 90.2 36.42 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.834 ' HB3' HD11 ' A' ' 105' ' ' LEU . 1.2 mtt85 -144.61 147.9 33.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.369 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 79' ' ' TYR . 1.6 tt -114.98 119.9 38.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.841 ' CD1' HD13 ' A' ' 105' ' ' LEU . 7.6 m95 -91.41 142.53 27.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' LYS . 4.5 tt0 -97.36 124.36 41.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.06 HD12 HD21 ' A' ' 101' ' ' LEU . 20.6 mm -62.74 87.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -48.58 -47.05 39.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.644 ' CD2' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.72 144.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.641 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.438 ' NE2' HG11 ' A' ' 8' ' ' VAL . 78.7 t60 -139.94 110.92 6.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.596 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.18 -169.51 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.466 ' HE2' ' C ' ' A' ' 97' ' ' GLY . 4.3 ttm -135.99 132.27 36.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 98' ' ' VAL . 60.2 t -139.35 138.42 40.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 48.38 40.62 15.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.263 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.466 ' C ' ' HE2' ' A' ' 94' ' ' MET . . . 65.73 16.64 63.85 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.552 1.157 . . . . 0.0 111.038 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.476 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.1 t -117.64 134.74 60.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.406 0.709 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.448 ' NE2' HG13 ' A' ' 8' ' ' VAL . 3.6 mt-30 -96.94 119.11 34.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.261 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.587 ' HG2' HD21 ' A' ' 102' ' ' LEU . 29.5 tt0 -109.74 105.18 14.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 110.372 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.06 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -101.46 123.79 46.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.644 ' HG ' ' CD2' ' A' ' 91' ' ' HIS . 3.0 mt -98.08 125.54 43.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.769 HD12 HG21 ' A' ' 46' ' ' VAL . 19.8 mt -117.37 124.33 48.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -113.04 128.17 56.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.841 HD13 ' CD1' ' A' ' 87' ' ' TRP . 37.8 tp -107.24 120.11 41.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.531 HD12 ' CE1' ' A' ' 41' ' ' PHE . 3.0 mm? -94.15 147.2 32.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 106' ' ' LEU . 18.4 Cg_endo -75.01 131.95 14.86 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.56 80.81 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.74 152.18 48.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.12 152.56 51.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.68 130.14 0.15 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 76.69 3.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -79.32 -127.45 0.57 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.456 ' HA ' HD13 ' A' ' 114' ' ' ILE . 15.5 mm -134.58 149.67 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -136.85 144.74 43.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 109.569 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.69 141.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 m -158.33 102.25 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 0.0 109.966 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.16 131.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 6' ' ' GLU . . . -159.81 110.64 1.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.65 -65.75 0.29 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' ALA . 4.7 tp10 64.66 146.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 110.34 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -142.75 153.25 43.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.636 HG22 ' CB ' ' A' ' 94' ' ' MET . 17.3 t -77.1 171.88 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.541 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -110.09 -57.93 0.51 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.52 133.86 4.81 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 173.9 13.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.507 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.5 Cg_endo -74.94 93.84 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -44.92 -26.49 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.796 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.88 148.03 27.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.58 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 68.6 mt -129.96 145.74 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.361 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.796 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -131.01 111.84 12.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.675 HG12 HD13 ' A' ' 69' ' ' LEU . 9.4 p -71.68 119.16 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.466 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 2.0 t60 -113.54 -29.44 7.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.604 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -135.65 158.93 43.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' CB ' ' HB2' ' A' ' 60' ' ' SER . 6.1 tt0 -52.4 111.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.59 21.57 79.48 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 1.1 mp -125.11 140.28 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.583 0.814 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.598 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.1 m-85 -137.25 153.0 50.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.946 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -109.16 132.2 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -80.94 -177.39 6.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 7.6 pt-20 -95.62 24.96 4.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.262 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -150.72 26.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 70.09 41.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.28 115.09 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.498 ' CG2' HD11 ' A' ' 53' ' ' LEU . 1.6 p -82.22 134.05 35.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 0.0 110.393 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.834 ' HB3' HG12 ' A' ' 46' ' ' VAL . 49.2 m95 -115.55 154.47 29.32 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.842 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.3 t -116.82 93.86 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -79.1 110.77 14.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.412 HG11 ' NH2' ' A' ' 45' ' ' ARG . 73.2 t -99.7 81.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.475 HG21 HG21 ' A' ' 64' ' ' THR . 5.1 p -47.11 109.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -116.02 93.53 4.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.81 99.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' CB ' ' HB2' ' A' ' 41' ' ' PHE . 5.8 mm-40 -57.17 161.81 2.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.8 m -47.96 -33.52 7.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -155.62 38.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.656 ' C ' HD22 ' A' ' 42' ' ' LEU . 12.0 m-85 -158.9 -178.23 7.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.656 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.7 mm? -121.92 97.89 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 19.3 ttp180 -104.76 125.08 50.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.63 92.54 3.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.412 ' NH2' HG11 ' A' ' 34' ' ' VAL . 5.0 ttm180 -67.99 109.34 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.834 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.5 t -98.16 111.95 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.379 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.633 ' HG2' HD12 ' A' ' 49' ' ' ILE . 2.4 tt0 -108.26 130.38 55.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 30' ' ' THR . 6.3 tp-100 -87.11 124.79 33.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.842 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -153.05 161.44 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -93.18 94.0 8.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 33.4 m -136.02 138.41 27.53 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.1 Cg_endo -75.11 123.0 7.5 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.425 1.75 . . . . 0.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.498 HD11 ' CG2' ' A' ' 30' ' ' THR . 2.6 mp -62.94 107.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.76 -118.74 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.466 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 56.5 m-20 -63.03 -172.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 0.716 . . . . 0.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.97 59.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.66 -153.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.519 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 1.4 mtt85 -138.4 57.98 13.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.519 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.2 Cg_endo -74.97 -50.62 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.491 ' HB2' ' CB ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -66.56 -36.16 81.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.61 1.194 . . . . 0.0 110.0 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -37.28 87.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.628 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 62' ' ' LEU . 2.6 mm? -83.99 -36.59 23.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 tt -74.41 -69.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.533 HG22 ' HG2' ' A' ' 66' ' ' GLN . 21.9 m -70.08 -68.73 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p 72.4 40.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.533 ' HG2' HG22 ' A' ' 64' ' ' THR . 16.1 mm-40 -117.43 -60.28 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.243 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.544 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.8 mp -66.01 141.49 97.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.643 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -74.94 171.33 18.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.073 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.675 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -77.39 -17.6 58.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.493 ' HG2' ' N ' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -162.01 145.74 12.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.493 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.6 m0 -111.53 154.44 24.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' MET . 3.2 tp60 -134.12 96.19 3.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.907 HD13 ' CE1' ' A' ' 79' ' ' TYR . 12.2 tp -47.88 116.21 1.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.574 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -99.96 -179.16 0.78 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.6 Cg_endo -74.92 171.86 17.46 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 1.8 tm-20 77.51 -76.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.423 ' HB3' ' O ' ' A' ' 76' ' ' GLU . 9.4 pt-20 167.72 56.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.644 ' HD2' HD11 ' A' ' 86' ' ' LEU . 2.2 mtt180 -149.61 163.56 37.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.576 1.172 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.907 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-85 -117.2 120.57 38.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.574 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -95.9 124.29 39.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.444 ' OD1' ' CD1' ' A' ' 87' ' ' TRP . 2.3 p30 -92.91 176.9 6.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.374 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -100.26 -1.55 36.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 84' ' ' SER . 10.1 t-20 -78.34 -1.59 34.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.5 OUTLIER 85.62 41.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.054 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.769 ' HD3' HD21 ' A' ' 105' ' ' LEU . 42.0 mtt-85 -145.55 156.91 44.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.644 HD11 ' HD2' ' A' ' 78' ' ' ARG . 2.0 tm? -121.49 116.62 25.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.711 ' CE2' HD22 ' A' ' 105' ' ' LEU . 8.1 m95 -94.84 140.91 29.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 107.954 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.7 tt0 -101.27 124.61 47.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.006 HD12 HD21 ' A' ' 101' ' ' LEU . 16.4 mm -62.59 94.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -51.65 -48.61 63.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.232 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.546 ' CE1' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -174.01 130.5 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.633 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.415 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . 78.8 t60 -121.36 112.06 18.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.583 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.546 HD22 ' CE1' ' A' ' 91' ' ' HIS . 0.5 OUTLIER -145.13 177.21 8.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.636 ' CB ' HG22 ' A' ' 8' ' ' VAL . 3.2 ttm -125.35 130.32 51.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.6 t -134.46 140.3 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 48.05 38.43 9.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.11 23.9 73.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.584 1.177 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 95' ' ' VAL . 2.1 t -126.45 129.66 71.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.437 ' NE2' HG13 ' A' ' 8' ' ' VAL . 38.1 mt-30 -89.53 116.06 27.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.578 ' HG2' HD21 ' A' ' 102' ' ' LEU . 27.1 tt0 -106.93 103.68 13.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.006 HD21 HD12 ' A' ' 89' ' ' ILE . 2.2 tt -99.26 121.06 40.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.578 HD21 ' HG2' ' A' ' 100' ' ' GLU . 2.6 mt -97.41 120.19 37.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.685 HD12 HG21 ' A' ' 46' ' ' VAL . 17.0 mt -109.97 131.26 55.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.082 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.2 OUTLIER -120.76 130.17 53.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.769 HD21 ' HD3' ' A' ' 85' ' ' ARG . 20.8 tp -107.65 121.89 45.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 5.5 mp -96.16 146.58 31.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 106' ' ' LEU . 18.3 Cg_endo -75.03 121.16 6.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.2 89.0 1.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.2 t70 59.77 96.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 109' ' ' ASP . 4.9 mtp180 -35.58 131.38 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.215 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.4 p -111.61 99.02 43.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 139.36 24.31 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.69 123.69 1.84 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.568 1.168 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.7 mp -130.92 152.79 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 109.36 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -176.25 119.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.597 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -149.15 137.08 20.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.1 t0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.77 -58.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 110.07 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.49 76.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.86 150.62 48.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 54.15 100.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.432 1.082 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -166.85 129.28 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.339 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.435 ' HA ' ' HB3' ' A' ' 94' ' ' MET . 5.2 m-20 -69.41 154.52 41.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 94' ' ' MET . 36.5 t -43.59 161.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.414 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -153.82 21.95 0.7 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.556 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -160.47 87.89 1.81 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.573 0.808 . . . . 0.0 109.323 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.466 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.91 173.56 14.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.422 1.749 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.526 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.2 Cg_endo -74.96 95.22 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.544 1.813 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -42.57 -28.11 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.793 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -153.2 146.58 24.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.654 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 58.6 mt -127.52 145.34 50.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.793 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.1 m0 -130.08 112.34 13.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 108.042 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.606 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.9 p -72.14 118.5 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.461 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.7 t-160 -115.43 -32.9 5.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.637 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.463 ' HB2' ' CG2' ' A' ' 22' ' ' ILE . 1.8 mt-30 -128.72 159.76 34.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.225 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.518 ' CG ' ' HB3' ' A' ' 60' ' ' SER . 0.9 OUTLIER -53.52 109.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 73.26 17.36 78.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.477 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -119.99 140.53 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.406 0.709 . . . . 0.0 109.266 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.9 m-85 -135.84 153.72 51.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' HD2' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -108.7 134.45 51.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.428 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 24.5 t0 -87.29 -179.03 6.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -91.68 20.71 5.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.546 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 6.4 m-85 -148.59 45.15 1.03 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 7.4 pt20 48.14 45.79 19.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HB2' ' HB3' ' A' ' 25' ' ' ASP . 0.3 OUTLIER -124.51 113.63 18.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.575 ' CG2' HD11 ' A' ' 53' ' ' LEU . 12.7 p -74.18 151.15 40.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.808 ' HB3' HG12 ' A' ' 46' ' ' VAL . 51.4 m95 -132.13 144.93 51.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 108.008 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.861 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.3 t -109.29 93.51 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.357 1.036 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -81.91 92.54 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.599 HG23 HG12 ' A' ' 32' ' ' VAL . 73.1 t -82.34 92.29 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 35' ' ' VAL . 11.0 p -53.72 109.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.13 88.0 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.234 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.28 122.12 6.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.32 164.02 26.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 m -49.05 -37.88 22.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.414 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -150.77 37.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.044 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.624 ' O ' HD12 ' A' ' 42' ' ' LEU . 28.9 m-85 -161.0 -171.19 2.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 41' ' ' PHE . 3.5 mp -118.63 141.86 48.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 44' ' ' ALA . 12.5 ttp180 -151.55 147.45 26.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.477 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -139.81 103.52 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -74.26 107.19 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.808 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -92.93 109.33 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.738 ' HG2' HD12 ' A' ' 49' ' ' ILE . 1.2 tt0 -111.93 130.25 55.9 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.501 ' O ' HG13 ' A' ' 98' ' ' VAL . 0.8 OUTLIER -87.3 121.32 29.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.861 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -146.66 163.22 8.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -86.09 101.37 12.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 52' ' ' PRO . 8.2 p -143.27 140.61 17.92 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -75.04 169.85 21.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.575 HD11 ' CG2' ' A' ' 30' ' ' THR . 0.7 OUTLIER -131.69 159.63 37.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.14 -69.93 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.459 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 1.4 m-20 -65.14 114.99 5.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 109.332 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 18' ' ' HIS . . . -118.38 41.93 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.55 -148.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -132.52 65.01 73.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.434 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.96 -88.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.461 1.769 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.518 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.2 p -48.2 -25.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.489 ' CE1' HD21 ' A' ' 69' ' ' LEU . 6.5 m170 -63.56 -46.54 85.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.604 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.69 -20.88 21.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.593 1.183 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -83.22 -67.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 60' ' ' SER . 2.9 m -76.04 -54.71 6.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.3 p 58.43 39.96 24.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -120.2 -55.44 2.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.619 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.0 mp -71.72 145.3 89.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.649 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -74.92 172.21 16.79 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.449 1.762 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.514 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -80.06 -10.4 59.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.556 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 3.6 tmm? -170.32 143.35 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.477 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.7 m0 -109.55 155.38 21.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 107.994 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -137.03 106.36 6.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.392 1.057 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 74' ' ' TYR . 1.9 tp -55.41 112.8 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.368 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.605 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -101.68 -176.91 0.5 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.572 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.01 -175.53 2.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 5.9 mm-40 68.16 -77.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.591 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 2.5 tt0 163.2 60.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.475 ' HB2' HD21 ' A' ' 86' ' ' LEU . 27.2 mtm-85 -157.11 161.76 39.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.811 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.3 m-30 -107.58 121.5 44.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.605 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -96.92 115.95 28.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.489 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 17.7 p-10 -80.71 -170.3 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.92 -5.89 13.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.56 ' O ' ' CB ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -79.12 -3.58 46.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.442 1.089 . . . . 0.0 109.261 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.9 OUTLIER 90.24 37.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.069 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.595 ' HB3' HD11 ' A' ' 105' ' ' LEU . 9.3 mmt180 -136.22 155.57 49.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.232 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 78' ' ' ARG . 0.5 OUTLIER -124.57 115.45 20.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.649 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 7.9 m95 -94.05 134.44 36.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 108.029 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.4 tt0 -93.57 117.15 29.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.041 HD12 HD21 ' A' ' 101' ' ' LEU . 20.3 mm -54.27 90.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -50.19 -46.35 54.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.598 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.59 139.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.565 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 77.9 t60 -135.79 112.2 9.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.568 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.51 -174.14 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.674 ' HB2' HG23 ' A' ' 8' ' ' VAL . 0.9 OUTLIER -106.02 125.68 51.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 98' ' ' VAL . 5.0 t -122.47 124.28 70.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 49.04 34.78 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 75.36 21.01 78.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.565 1.166 . . . . 0.0 110.952 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.1 t -126.01 128.01 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.474 ' NE2' ' OE1' ' A' ' 48' ' ' GLN . 3.0 mp0 -73.34 107.52 5.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.252 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.61 ' HG2' HD21 ' A' ' 102' ' ' LEU . 33.6 tt0 -103.96 108.93 20.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.041 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -105.2 122.09 45.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.61 HD21 ' HG2' ' A' ' 100' ' ' GLU . 2.6 mt -98.98 120.3 39.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.758 HD12 HG21 ' A' ' 46' ' ' VAL . 14.3 mt -108.7 129.02 55.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 88' ' ' GLN . 1.1 tmmm? -117.34 123.67 47.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.637 HD22 ' CE2' ' A' ' 87' ' ' TRP . 22.2 tp -101.13 126.44 47.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.15 155.21 36.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.245 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.09 5.91 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.11 89.68 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.41 1.069 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 110' ' ' ARG . 18.4 t70 177.96 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 109' ' ' ASP . 0.5 OUTLIER 56.57 161.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 m -102.47 107.18 52.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 162.1 37.7 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.426 1.751 . . . . 0.0 111.005 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -136.53 -111.53 1.1 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 tp -77.84 76.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -91.15 112.19 23.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.637 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.74 138.72 28.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.04 -58.24 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.955 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.78 135.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.16 155.59 25.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.59 -147.49 21.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 111.041 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -175.16 147.14 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.361 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -150.94 151.85 32.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.658 HG22 ' CB ' ' A' ' 94' ' ' MET . 11.0 t -62.89 172.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.07 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.569 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -102.42 -59.07 0.76 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.09 139.48 8.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 174.39 12.87 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.444 1.76 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.468 ' HG3' ' CZ2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -75.04 93.06 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.415 ' HB3' ' OE2' ' A' ' 26' ' ' GLU . 28.2 t70 -41.28 -28.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.82 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -153.03 151.27 30.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 63.2 mt -130.5 146.02 51.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.82 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -130.27 112.46 13.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.025 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.602 ' CG1' HD22 ' A' ' 69' ' ' LEU . 8.5 p -71.16 121.07 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.683 ' CE1' ' O ' ' A' ' 55' ' ' ASP . 1.9 t-80 -114.88 -32.99 5.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.47 160.34 37.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.412 ' HA ' ' HB3' ' A' ' 60' ' ' SER . 11.1 tt0 -52.08 110.2 0.46 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.26 23.0 78.64 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.601 1.188 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.658 HG21 HD23 ' A' ' 53' ' ' LEU . 1.3 mp -126.09 136.11 61.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 0.805 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.5 m-85 -133.56 154.08 51.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.95 134.12 52.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.468 ' CB ' ' HB2' ' A' ' 29' ' ' ARG . 22.5 t0 -82.76 -177.16 6.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.481 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 5.6 pt-20 -96.67 18.12 14.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -140.46 25.3 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 67.79 44.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 47.0 mtt180 -121.83 115.37 22.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.608 1.192 . . . . 0.0 110.265 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.572 HG22 HD11 ' A' ' 53' ' ' LEU . 14.3 p -76.21 146.2 39.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.836 ' HB3' HG12 ' A' ' 46' ' ' VAL . 58.0 m95 -127.55 155.25 44.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.935 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -120.18 87.89 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -73.67 104.88 4.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.47 HG23 HG12 ' A' ' 32' ' ' VAL . 73.1 t -95.74 81.05 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 p -43.89 107.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 43' ' ' ARG . 9.9 mm-40 -110.59 89.51 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -52.77 109.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.248 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.46 ' CB ' ' HB2' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -68.53 162.0 26.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 m -49.09 -29.62 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.77 42.26 0.25 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.87 ' C ' HD22 ' A' ' 42' ' ' LEU . 9.6 m-85 -161.49 -176.37 5.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.87 HD22 ' C ' ' A' ' 41' ' ' PHE . 2.5 mm? -126.63 93.66 3.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.112 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 1.4 ttp180 -103.77 134.66 46.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.44 109.44 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -80.58 106.25 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.258 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.836 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -93.53 105.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.284 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.648 ' OE1' ' CG1' ' A' ' 98' ' ' VAL . 0.1 OUTLIER -105.08 129.85 53.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.15 . . . . 0.0 110.263 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.07 120.07 30.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.935 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -148.34 164.53 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.93 102.48 14.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.434 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 9.0 p -150.15 138.82 12.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -74.96 163.57 35.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.397 1.735 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.658 HD23 HG21 ' A' ' 22' ' ' ILE . 2.0 mp -117.54 118.4 32.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.1 -104.1 0.05 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.683 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 6.4 m-20 -89.02 177.54 6.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.736 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.55 51.34 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.6 -145.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.441 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 6.7 mtt180 -133.93 62.58 58.4 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 63' ' ' LEU . 18.0 Cg_endo -75.01 -89.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.412 ' HB3' ' HA ' ' A' ' 20' ' ' GLU . 62.1 p -41.31 -28.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.457 ' CD2' HD21 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -63.41 -50.54 69.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.604 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -90.46 -17.33 27.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -81.36 -63.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.9 m -80.32 -64.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 p 75.79 37.73 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -125.54 -59.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.232 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.2 mp -65.68 142.12 98.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.609 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.99 169.52 22.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 110.992 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.602 HD22 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -77.71 -8.98 58.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.609 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -170.69 142.91 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.505 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -109.51 155.22 21.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 108.041 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -137.17 99.59 4.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.868 HD13 ' CE1' ' A' ' 79' ' ' TYR . 10.8 tp -51.11 112.68 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.585 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.82 -178.87 0.77 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.584 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -75.04 174.86 12.07 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.477 1.777 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.1 OUTLIER 78.69 -81.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.266 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.61 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 44.2 tt0 169.71 55.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.505 ' CD ' ' C ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -155.12 162.98 40.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.868 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-85 -110.86 124.42 52.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.585 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -99.35 120.31 39.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.483 ' C ' ' OD2' ' A' ' 81' ' ' ASP . 42.4 p30 -85.67 -174.16 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.98 0.53 20.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.572 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.6 t-20 -80.11 -4.18 51.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 1.6 t 91.12 36.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.961 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.956 ' HB3' HD11 ' A' ' 105' ' ' LEU . 21.6 mmt-85 -142.67 163.55 32.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' A' ' 78' ' ' ARG . 1.5 tt -126.14 121.53 33.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 1.009 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.0 m95 -96.53 137.58 35.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' A' ' 104' ' ' LYS . 5.0 tt0 -97.51 126.17 42.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.031 HD12 HD21 ' A' ' 101' ' ' LEU . 19.7 mm -63.45 94.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -54.45 -45.35 73.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.216 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.667 ' CD2' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -173.03 135.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.547 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.409 ' CG ' ' HG ' ' A' ' 101' ' ' LEU . 71.5 t60 -131.42 116.23 17.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.611 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.667 HD22 ' CD2' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -153.02 -179.22 7.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.215 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.658 ' CB ' HG22 ' A' ' 8' ' ' VAL . 4.6 ttm -128.81 132.57 47.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.2 t -136.72 138.88 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 48.94 37.78 10.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 68.91 20.71 74.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.648 ' CG1' ' OE1' ' A' ' 47' ' ' GLN . 2.0 t -122.35 130.83 74.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.41 ' OE1' HG13 ' A' ' 8' ' ' VAL . 7.3 mt-30 -94.15 116.06 28.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.606 ' HG2' HD21 ' A' ' 102' ' ' LEU . 17.6 tt0 -107.94 104.02 13.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.031 HD21 HD12 ' A' ' 89' ' ' ILE . 1.9 tt -99.7 123.12 43.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.606 HD21 ' HG2' ' A' ' 100' ' ' GLU . 3.1 mt -98.23 121.36 40.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.666 HD12 HG21 ' A' ' 46' ' ' VAL . 18.0 mt -112.0 129.36 56.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.562 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -119.58 129.59 54.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 1.009 HD13 ' CD1' ' A' ' 87' ' ' TRP . 45.0 tp -108.32 123.96 49.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.7 mp -87.1 152.64 53.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.235 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 137.81 21.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 109' ' ' ASP . 0.8 OUTLIER -41.1 108.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' ASP . 9.9 t70 -40.23 123.24 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' SER . 0.1 OUTLIER -146.36 156.28 43.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 110' ' ' ARG . 0.1 OUTLIER -39.1 99.65 0.2 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.386 1.054 . . . . 0.0 110.013 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.439 ' O ' HG22 ' A' ' 114' ' ' ILE . 18.3 Cg_endo -74.91 75.38 3.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.535 1.808 . . . . 0.0 111.056 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 114' ' ' ILE . . . 41.41 -102.93 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.631 HG23 ' O ' ' A' ' 114' ' ' ILE . 1.6 tp 34.9 88.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.56 0.8 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -121.87 82.89 2.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.637 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.43 133.1 5.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.364 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 54.63 171.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 0.734 . . . . 0.0 109.974 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.4 ttm -159.98 77.65 0.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.29 157.07 23.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.94 159.01 11.51 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -175.5 147.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.26 149.72 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.721 HG13 ' NE2' ' A' ' 99' ' ' GLN . 2.8 t -66.94 177.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.679 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -114.16 -57.72 0.38 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.32 137.74 6.95 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.747 . . . . 0.0 109.278 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 173.55 14.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.3 Cg_endo -74.97 94.16 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 110.982 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -41.78 -28.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.753 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.87 148.31 27.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 57.5 mt -128.29 147.14 50.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.753 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.1 m0 -130.53 111.77 12.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 108.008 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.801 HG12 HD13 ' A' ' 69' ' ' LEU . 8.2 p -67.39 122.6 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 3.6 t60 -114.35 -33.01 5.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 109.595 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.68 ' HB3' HD13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -138.68 158.34 44.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.738 ' O ' HD12 ' A' ' 22' ' ' ILE . 6.0 pt-20 -51.1 108.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 77.76 23.73 66.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 20' ' ' GLU . 4.4 mp -130.21 139.22 51.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.44 0.729 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.526 ' OH ' ' HB3' ' A' ' 67' ' ' LEU . 13.9 m-85 -137.04 153.25 50.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.038 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -108.91 134.95 50.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' ARG . 28.8 t0 -80.87 180.0 7.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.598 1.186 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 16.2 pt-20 -95.73 14.4 23.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -140.18 29.94 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 66.69 47.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.586 1.178 . . . . 0.0 110.287 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 25' ' ' ASP . 2.7 mtt180 -125.46 117.43 23.65 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.847 ' CG2' HD21 ' A' ' 53' ' ' LEU . 19.1 p -79.01 148.04 32.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.846 ' HB3' HG12 ' A' ' 46' ' ' VAL . 63.0 m95 -133.41 148.56 51.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.85 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.4 t -114.78 92.89 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.211 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -77.24 111.81 13.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.7 t -103.07 97.12 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.249 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.27 115.37 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -144.22 106.99 4.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 110.327 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.539 ' HG2' HD13 ' A' ' 42' ' ' LEU . 24.8 mt-10 -71.37 150.76 44.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.633 ' HG2' HH21 ' A' ' 43' ' ' ARG . 0.0 OUTLIER -161.09 129.98 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 39' ' ' THR . 53.5 m 63.73 22.52 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 39' ' ' THR . 0.1 OUTLIER 78.36 41.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.596 ' C ' HD22 ' A' ' 42' ' ' LEU . 19.7 m-85 -129.67 176.74 7.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.596 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.7 mm? -120.67 88.2 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.633 HH21 ' HG2' ' A' ' 38' ' ' GLU . 11.0 ttm180 -96.72 121.68 38.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.229 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.415 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -110.14 82.42 1.59 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.515 ' CG ' HD22 ' A' ' 102' ' ' LEU . 3.0 ttm-85 -58.96 110.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.846 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.1 t -99.0 109.58 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.508 ' HG3' ' CG1' ' A' ' 98' ' ' VAL . 4.1 tt0 -106.77 134.34 50.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.501 ' O ' HG13 ' A' ' 98' ' ' VAL . 30.9 tp60 -88.29 126.83 35.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.85 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -154.06 177.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -109.25 107.12 17.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.842 HG13 HD23 ' A' ' 53' ' ' LEU . 7.1 p -142.19 128.48 10.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -75.03 65.13 6.1 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.847 HD21 ' CG2' ' A' ' 30' ' ' THR . 0.3 OUTLIER -59.38 108.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.463 ' O ' ' NE2' ' A' ' 18' ' ' HIS . . . -97.1 -71.71 1.07 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.951 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.491 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 26.3 t70 -45.0 138.41 3.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.546 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . . . -141.8 55.56 1.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.2 -143.76 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.607 ' HB3' HD12 ' A' ' 62' ' ' LEU . 5.8 mtm180 -133.48 62.78 61.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.5 Cg_endo -74.99 -77.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.448 ' HB3' ' CB ' ' A' ' 20' ' ' GLU . 53.4 p -63.47 -29.29 70.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.471 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 4.4 m170 -55.6 -30.61 61.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.653 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.607 HD12 ' HB3' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -112.07 -33.06 6.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -53.26 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.524 HG22 ' HB2' ' A' ' 66' ' ' GLN . 74.7 m -75.24 -66.93 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 p 67.43 36.78 3.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.944 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.524 ' HB2' HG22 ' A' ' 64' ' ' THR . 45.0 mm-40 -127.84 -61.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.352 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.589 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.7 mp -67.08 142.97 97.55 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.655 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.0 Cg_endo -75.08 162.09 37.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.54 1.811 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.801 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -69.65 -19.19 63.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.609 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 6.2 ttp -161.08 143.26 12.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.5 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.7 m0 -108.94 154.5 22.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -137.74 93.33 2.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 110.327 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.656 HD12 ' N ' ' A' ' 74' ' ' TYR . 4.2 tp -40.99 124.49 2.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.656 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -120.79 -178.53 0.6 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.561 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.01 166.11 29.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 78.37 6.88 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.364 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 70.92 49.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.672 ' CZ ' HD13 ' A' ' 86' ' ' LEU . 38.9 mtp180 -140.16 160.19 40.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.682 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.5 m-30 -112.03 121.66 45.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.569 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -97.06 117.0 30.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.489 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 34.3 p30 -71.04 -172.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -114.04 0.51 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.636 ' O ' ' CB ' ' A' ' 84' ' ' SER . 6.2 t-20 -82.02 -51.03 8.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 2.8 m 146.91 39.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.909 ' HB3' HD11 ' A' ' 105' ' ' LEU . 20.3 mtt180 -144.87 161.53 39.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.345 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.672 HD13 ' CZ ' ' A' ' 78' ' ' ARG . 1.1 tt -127.33 115.75 19.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.922 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.2 m95 -90.14 136.95 32.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 104' ' ' LYS . 4.2 tt0 -95.65 121.6 37.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.032 HD12 HD21 ' A' ' 101' ' ' LEU . 7.6 mm -60.66 92.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -44.38 66.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.075 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.692 ' CE1' HD21 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -172.38 143.15 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.616 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.427 ' C ' HD13 ' A' ' 93' ' ' LEU . 76.8 t60 -139.88 115.71 10.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.623 1.202 . . . . 0.0 109.601 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.695 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -157.89 -171.36 3.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.673 ' HE2' ' C ' ' A' ' 97' ' ' GLY . 2.9 ttm -117.09 124.76 50.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.3 t -124.24 132.36 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER 49.02 38.61 12.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.673 ' C ' ' HE2' ' A' ' 94' ' ' MET . . . 67.92 26.32 73.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.508 ' CG1' ' HG3' ' A' ' 47' ' ' GLN . 2.1 t -130.76 135.6 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.721 ' NE2' HG13 ' A' ' 8' ' ' VAL . 14.0 mm-40 -82.57 113.69 20.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.646 ' HG2' HD21 ' A' ' 102' ' ' LEU . 35.1 tt0 -109.79 106.21 15.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.032 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -104.42 122.58 45.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.646 HD21 ' HG2' ' A' ' 100' ' ' GLU . 2.4 mt -99.33 123.85 43.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.696 HD12 HG21 ' A' ' 46' ' ' VAL . 18.0 mt -113.63 127.73 56.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -116.47 129.8 56.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.922 HD13 ' CD1' ' A' ' 87' ' ' TRP . 46.6 tp -109.15 116.06 31.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.8 mp -89.11 151.11 46.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 110.71 3.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.466 1.771 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -71.97 99.36 2.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -122.25 152.69 39.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 109' ' ' ASP . 0.2 OUTLIER -35.84 132.02 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 110.267 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.35 118.27 1.43 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.023 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.26 40.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.436 1.756 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -161.43 81.16 0.14 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.548 1.155 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.9 mm -48.29 107.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 0.788 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -79.73 109.84 14.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.83 127.76 29.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.8 t70 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.07 120.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 0.797 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 177.24 101.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.16 157.3 28.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.81 147.08 9.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -169.08 156.61 7.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.76 . . . . 0.0 110.297 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.34 144.08 49.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.244 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 9' ' ' GLY . 46.8 t -54.87 166.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.491 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -79.37 -63.68 2.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.546 1.154 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.49 137.47 6.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.776 . . . . 0.0 109.271 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 174.15 13.29 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.513 1.796 . . . . 0.0 110.971 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.498 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.4 Cg_endo -74.94 90.95 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.805 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.451 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 14.3 t0 -40.6 -29.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.231 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.803 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -151.04 149.3 29.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.612 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.49 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 62.3 mt -129.29 146.46 51.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.803 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.1 m0 -131.58 111.3 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.163 . . . . 0.0 107.999 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.683 HG12 HD13 ' A' ' 69' ' ' LEU . 11.1 p -71.74 118.26 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.501 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 1.6 t-160 -114.91 -33.65 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.642 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.695 ' NE2' ' H ' ' A' ' 54' ' ' GLY . 1.7 mt-30 -125.96 161.11 28.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HB2' ' HB2' ' A' ' 59' ' ' PRO . 2.7 tt0 -54.63 113.35 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 69.47 23.75 76.39 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.442 1.088 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.605 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.3 mp -122.56 157.46 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.2 m-85 -151.08 149.34 29.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' TRP . 1.4 ttp85 -105.74 131.12 53.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -81.49 179.9 7.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.591 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 13.1 tt0 -94.19 16.83 13.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -140.99 28.34 1.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 65.69 48.02 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.402 ' HB3' ' NE2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -126.86 117.44 22.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.29 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.665 ' CG2' HD21 ' A' ' 53' ' ' LEU . 1.4 p -80.43 134.45 36.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.762 ' HB3' HG12 ' A' ' 46' ' ' VAL . 54.5 m95 -116.84 150.35 38.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 107.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.699 HG23 HD11 ' A' ' 49' ' ' ILE . 2.5 t -116.79 103.47 15.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -87.15 112.92 22.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.6 t -100.05 81.73 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 p -45.99 112.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.78 91.1 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.36 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -55.49 99.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.479 ' CB ' ' HB2' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -57.16 165.13 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.0 m -49.08 -37.8 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.179 . . . . 0.0 110.403 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.554 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 14.5 t -151.92 37.84 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.993 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.617 ' C ' HD22 ' A' ' 42' ' ' LEU . 52.1 m-85 -156.38 176.04 13.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.617 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.7 mm? -119.83 104.3 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.243 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.442 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 23.0 ttm180 -113.98 133.78 55.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.21 89.96 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.492 ' HG3' HD22 ' A' ' 102' ' ' LEU . 4.5 ttm180 -64.69 110.27 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.767 HG21 HD12 ' A' ' 103' ' ' LEU . 1.9 t -98.91 117.35 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.402 ' HG2' HG23 ' A' ' 49' ' ' ILE . 2.8 tt0 -111.04 134.62 52.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.424 ' OE1' ' N ' ' A' ' 49' ' ' ILE . 5.8 tp-100 -93.01 123.28 36.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.807 HD13 ' N ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -147.77 165.2 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.78 82.02 3.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.6 m -129.85 136.66 29.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 150.54 37.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.665 HD21 ' CG2' ' A' ' 30' ' ' THR . 1.2 mm? -73.84 112.16 9.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.695 ' H ' ' NE2' ' A' ' 19' ' ' GLN . . . -70.56 -102.36 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.501 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 2.3 p30 -75.43 -173.97 2.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.415 ' HB2' ' NE2' ' A' ' 18' ' ' HIS . . . -159.89 63.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.415 ' C ' ' HD3' ' A' ' 59' ' ' PRO . . . -121.76 -140.09 0.33 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.49 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 1.5 mtt85 -133.57 60.0 44.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.231 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.49 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -75.04 -86.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.811 . . . . 0.0 111.012 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.4 ' HB2' ' HG3' ' A' ' 20' ' ' GLU . 40.0 t -40.71 -33.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.505 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.8 m170 -58.14 -49.76 75.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.628 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' PRO . 6.5 mt -96.3 5.26 51.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -110.94 4.49 19.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.432 HG22 ' HB2' ' A' ' 66' ' ' GLN . 16.7 m -155.11 -56.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 p 64.43 39.68 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.432 ' HB2' HG22 ' A' ' 64' ' ' THR . 30.7 mm100 -122.84 -59.42 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.559 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.3 mp -67.84 140.13 93.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.365 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.656 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.04 167.18 27.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.545 1.813 . . . . 0.0 110.979 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.683 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -75.32 -14.64 60.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.38 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.623 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -164.33 141.67 6.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.072 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.506 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.3 m0 -107.46 155.77 19.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 80' ' ' MET . 2.8 tp60 -135.37 98.93 4.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.855 HD13 ' CE1' ' A' ' 79' ' ' TYR . 11.5 tp -51.34 115.98 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -101.39 -177.43 0.56 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.551 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.06 179.21 6.32 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 1.1 mm-40 70.6 -79.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 9.5 tt0 168.66 62.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.467 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 84.4 mtt180 -157.27 160.14 38.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.855 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-85 -111.39 121.44 45.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.559 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -94.93 121.2 36.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.965 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.482 ' C ' ' OD2' ' A' ' 81' ' ' ASP . 42.9 p30 -87.24 -173.37 4.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -109.63 0.62 19.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.231 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.538 ' O ' ' CB ' ' A' ' 84' ' ' SER . 0.4 OUTLIER -82.12 -2.91 53.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 88.51 36.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.925 ' HB3' HD11 ' A' ' 105' ' ' LEU . 9.1 mtt180 -141.31 156.3 45.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -120.48 119.47 33.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.371 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 1.04 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.3 m95 -94.22 136.31 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 108.02 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 104' ' ' LYS . 4.2 tt0 -94.54 122.7 37.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.091 HD12 HD21 ' A' ' 101' ' ' LEU . 9.9 mm -63.47 94.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -45.66 70.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.217 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.687 ' CE1' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.98 147.56 2.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.548 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.569 ' C ' HD13 ' A' ' 93' ' ' LEU . 76.7 t60 -142.93 109.6 5.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.655 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.62 HD22 ' H ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -145.85 -170.56 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.261 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.8 ttm -131.22 129.39 41.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 98' ' ' VAL . 49.4 t -134.79 139.46 47.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? 47.58 39.44 9.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.246 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.15 27.07 72.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.115 . . . . 0.0 111.043 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 95' ' ' VAL . 2.1 t -130.33 134.5 62.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -95.32 115.4 27.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.569 ' HG2' HD21 ' A' ' 102' ' ' LEU . 30.8 tt0 -106.27 110.68 23.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.091 HD21 HD12 ' A' ' 89' ' ' ILE . 1.8 tt -105.77 121.89 44.95 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.687 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 2.2 mt -98.02 125.49 43.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.767 HD12 HG21 ' A' ' 46' ' ' VAL . 17.4 mt -115.24 129.15 56.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -118.53 127.03 53.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 1.04 HD13 ' CD1' ' A' ' 87' ' ' TRP . 35.1 tp -106.39 122.97 47.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -84.38 159.06 59.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -44.45 105.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 110' ' ' ARG . 0.7 OUTLIER -105.24 141.99 35.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -37.89 154.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.3 t -159.66 118.56 1.64 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 113.13 3.72 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.01 -59.02 6.77 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.432 1.082 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 114' ' ' ILE . 4.0 tt -41.92 108.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -138.65 136.38 35.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.616 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.37 136.46 20.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 110.285 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.2 t0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.363 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t -179.5 137.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 0.722 . . . . 0.0 110.043 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.7 tpt 66.17 72.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.06 90.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 130.57 64.9 0.1 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.474 1.108 . . . . 0.0 111.09 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -65.89 150.23 48.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 0.72 . . . . 0.0 110.338 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.39 151.87 15.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.716 HG12 ' H ' ' A' ' 9' ' ' GLY . 2.4 t -69.94 -179.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.716 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -91.66 -71.32 1.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.66 142.19 10.04 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.553 0.796 . . . . 0.0 109.314 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.438 ' HB2' ' OH ' ' A' ' 79' ' ' TYR . 18.2 Cg_endo -75.01 173.91 13.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.047 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.474 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.2 Cg_endo -75.0 93.15 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.431 1.753 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.437 ' HA ' ' CB ' ' A' ' 73' ' ' LEU . 15.6 t0 -41.86 -29.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.811 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -151.4 148.82 28.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.57 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 62.6 mt -129.37 146.12 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.811 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.6 m0 -130.81 112.64 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.6 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 8.3 p -73.49 119.14 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.606 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 1.4 t-80 -115.22 -34.38 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.575 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -127.67 158.24 38.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.348 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.02 110.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 71.93 21.72 78.96 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mp -124.09 139.16 51.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.583 0.813 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.3 m-85 -134.83 152.26 51.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -107.05 133.23 52.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.093 . . . . 0.0 110.294 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -85.7 179.7 7.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.18 23.54 2.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.462 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 8.1 m-85 -154.13 48.56 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 7.4 pm0 46.72 41.84 10.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.175 . . . . 0.0 110.28 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.87 110.09 17.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.465 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 7.1 p -74.98 144.53 43.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.371 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.85 ' HB3' HG12 ' A' ' 46' ' ' VAL . 49.7 m95 -124.64 153.1 42.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.02 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.941 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -117.51 97.91 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -83.07 104.56 13.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.426 HG11 ' NH2' ' A' ' 45' ' ' ARG . 99.1 t -89.21 75.97 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.788 HG21 HG21 ' A' ' 64' ' ' THR . 2.6 p -52.13 109.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 3.1 pt-20 -123.39 92.41 3.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' HG2' HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -48.65 111.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -66.69 160.17 26.19 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 110.252 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 m -47.34 -31.32 3.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.01 39.74 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.958 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.884 ' C ' HD22 ' A' ' 42' ' ' LEU . 8.9 m-85 -160.8 -174.5 4.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.884 HD22 ' C ' ' A' ' 41' ' ' PHE . 2.3 mm? -128.87 101.88 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 23.4 ttp85 -110.52 125.41 53.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.1 92.4 3.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.366 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.426 ' NH2' HG11 ' A' ' 34' ' ' VAL . 4.7 ttm180 -70.51 109.59 4.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.85 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -96.5 113.42 30.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 32' ' ' VAL . 2.7 tt0 -109.05 133.75 52.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.513 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 27.6 tp60 -90.8 124.45 35.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.941 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -156.44 168.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.59 112.03 23.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.364 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 2.1 p -152.23 133.61 8.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -74.99 136.11 19.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.545 1.813 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.05 110.7 17.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.36 -100.31 0.15 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.573 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 2.1 t70 -83.7 168.75 15.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.584 0.814 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.606 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . . . -140.7 54.33 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.36 -142.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.235 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.422 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 53.7 mtt180 -134.85 63.34 57.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 62' ' ' LEU . 18.0 Cg_endo -75.06 -87.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.445 1.76 . . . . 0.0 111.005 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 64' ' ' THR . 9.4 t -41.98 -29.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.498 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 3.1 m170 -63.55 -47.96 79.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -86.21 -29.31 23.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 tt -74.58 -68.49 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.788 HG21 HG21 ' A' ' 35' ' ' VAL . 24.3 m -76.27 -69.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 110.441 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 p 75.82 36.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.948 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -119.64 -57.71 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.566 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.3 mp -66.84 143.12 97.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.621 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -74.98 168.37 25.0 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.497 HD21 ' CE1' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -73.95 -24.3 59.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.51 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -156.7 140.6 16.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.493 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.6 m0 -105.39 155.07 19.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.038 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 80' ' ' MET . 1.0 OUTLIER -134.09 95.81 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.799 HD12 ' N ' ' A' ' 74' ' ' TYR . 1.0 OUTLIER -41.87 123.07 2.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.799 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -124.59 175.55 2.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.549 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -74.91 177.81 8.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 1.0 OUTLIER 67.32 19.49 10.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 58.61 50.91 8.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 110.264 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -144.2 157.85 44.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.799 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-30 -111.57 128.93 56.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.595 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -101.43 119.35 38.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.407 ' HB3' ' HG3' ' A' ' 68' ' ' PRO . 7.4 p30 -92.52 176.08 6.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -97.59 2.32 49.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 84' ' ' SER . 1.9 t-20 -79.25 -2.16 39.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.9 OUTLIER 85.65 36.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.937 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.882 ' HB3' HD11 ' A' ' 105' ' ' LEU . 17.2 mmt85 -144.51 162.24 37.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 110.277 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 79' ' ' TYR . 1.3 tt -125.85 116.25 21.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.999 ' CD1' HD13 ' A' ' 105' ' ' LEU . 9.3 m95 -89.63 140.26 29.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 107.96 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.7 tt0 -96.17 129.13 43.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.033 HD12 HD21 ' A' ' 101' ' ' LEU . 5.6 mm -73.11 90.94 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -53.47 -42.08 66.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.65 ' CE1' HD21 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -170.53 150.41 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.547 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.437 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . 48.3 t60 -147.96 115.09 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.587 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.783 HD22 ' H ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -152.52 -172.91 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.432 ' HA ' ' O ' ' A' ' 98' ' ' VAL . 1.3 ttp -140.85 122.32 15.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.8 t -126.91 143.31 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.88 34.85 8.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 69.13 23.97 76.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.452 HG22 HG22 ' A' ' 49' ' ' ILE . 2.0 t -124.17 126.28 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.506 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -91.26 117.86 30.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 110.285 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.615 ' HG2' HD21 ' A' ' 102' ' ' LEU . 35.1 tt0 -111.52 104.68 13.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.033 HD21 HD12 ' A' ' 89' ' ' ILE . 1.9 tt -102.45 124.78 48.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.649 HD23 ' C ' ' A' ' 101' ' ' LEU . 2.4 mt -100.74 128.16 46.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.555 HD12 HG21 ' A' ' 46' ' ' VAL . 17.2 mt -118.31 131.92 56.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -120.03 126.29 50.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.999 HD13 ' CD1' ' A' ' 87' ' ' TRP . 37.3 tp -106.44 114.45 28.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.0 mp -92.72 156.35 41.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 137.19 21.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -41.55 105.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.403 1.065 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.06 144.35 33.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.214 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 -137.16 153.45 50.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.3 p -166.93 88.32 0.79 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.045 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 135.79 19.62 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.444 1.76 . . . . 0.0 110.99 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -110.35 -162.9 18.78 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 114' ' ' ILE . 1.1 tp -96.43 115.29 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.1 109.35 17.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.534 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -136.51 135.25 38.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 3' ' ' MET . 33.5 p 178.57 -177.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 0.744 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.494 ' CB ' ' O ' ' A' ' 2' ' ' SER . 6.1 ttm 80.76 147.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.18 155.95 25.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.39 63.61 2.33 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 6' ' ' GLU . 3.7 pt-20 -82.87 50.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.482 0.754 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.473 ' O ' ' O ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER 55.19 161.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.765 HG22 ' HB2' ' A' ' 94' ' ' MET . 67.7 t -69.42 165.5 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.501 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -80.64 -67.39 1.55 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.477 1.11 . . . . 0.0 111.052 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.88 144.19 10.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 174.83 12.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.464 1.77 . . . . 0.0 111.011 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.529 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.3 Cg_endo -75.0 91.65 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' PRO . 15.7 t70 -40.09 -29.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.787 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.54 146.83 26.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.548 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 23' ' ' TYR . 56.0 mt -126.2 150.1 48.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.787 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 15.8 m0 -132.08 106.65 8.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 108.026 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.862 ' CG1' HD22 ' A' ' 69' ' ' LEU . 2.0 p -65.96 124.61 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 109.248 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 4.1 t60 -113.43 -31.84 6.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.638 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -146.46 160.69 41.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.605 ' O ' HD12 ' A' ' 22' ' ' ILE . 9.8 pt-20 -49.58 109.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 110.26 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.491 ' C ' HD12 ' A' ' 22' ' ' ILE . . . 74.95 24.93 70.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 20' ' ' GLU . 3.2 mp -130.44 130.44 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.549 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.4 m-85 -133.71 153.8 51.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.058 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -111.53 131.86 54.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' ARG . 12.0 t0 -80.15 176.7 9.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.535 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 11.9 tt0 -91.38 24.28 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.591 1.182 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -149.47 27.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 67.91 40.21 2.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER -115.78 114.87 25.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.8 p -79.48 140.84 37.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.864 ' HB3' HG12 ' A' ' 46' ' ' VAL . 53.6 m95 -122.57 156.15 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 108.038 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.91 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -119.78 93.98 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -76.43 116.49 17.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 t -106.85 90.61 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.735 HG21 ' OE1' ' A' ' 66' ' ' GLN . 5.2 p -64.91 113.98 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -140.58 93.86 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.348 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.454 ' HG2' HD23 ' A' ' 42' ' ' LEU . 1.5 mt-10 -62.7 154.35 29.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.04 156.27 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.241 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.2 m 48.85 33.45 4.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.46 41.83 22.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.093 . . . . 0.0 110.012 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -138.53 -173.07 3.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.472 ' O ' ' CD ' ' A' ' 104' ' ' LYS . 39.7 mt -116.48 140.2 49.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -149.1 118.7 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.84 85.98 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.596 ' CG ' HD22 ' A' ' 102' ' ' LEU . 2.3 ttm-85 -64.6 108.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.864 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.1 t -95.62 110.79 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.541 ' HG2' HD12 ' A' ' 49' ' ' ILE . 1.2 tt0 -110.58 127.69 55.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.545 ' NE2' ' OE1' ' A' ' 99' ' ' GLN . 0.2 OUTLIER -89.0 118.93 29.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.91 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -154.7 159.73 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -69.38 114.26 7.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.451 ' CG2' ' HD2' ' A' ' 52' ' ' PRO . 11.1 p -148.42 140.02 14.13 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.451 ' HD2' ' CG2' ' A' ' 51' ' ' VAL . 18.5 Cg_endo -74.96 168.74 24.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.8 mt -123.23 144.01 49.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.51 114.29 0.59 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.427 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 7.7 t70 67.76 138.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.781 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.436 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . . . -141.99 55.48 1.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 109.266 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.31 -101.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.593 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 11.3 mtt180 -159.33 54.31 0.65 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.593 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.4 Cg_endo -75.03 -43.55 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.447 1.762 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' A' ' 64' ' ' THR . 93.9 p -66.51 -6.71 15.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 110.048 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.665 ' NE2' HD23 ' A' ' 69' ' ' LEU . 1.5 m-70 -108.91 -41.2 4.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.064 . . . . 0.0 109.543 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.15 -48.44 14.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -72.83 -66.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.668 HG21 HD13 ' A' ' 67' ' ' LEU . 1.6 m -71.14 -69.72 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 2.6 p 69.22 40.62 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.735 ' OE1' HG21 ' A' ' 35' ' ' VAL . 3.8 mt-30 -138.68 -57.85 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.142 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.668 HD13 HG21 ' A' ' 64' ' ' THR . 2.5 mp -66.8 144.56 98.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.698 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.04 167.65 26.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.986 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.862 HD22 ' CG1' ' A' ' 17' ' ' VAL . 0.8 OUTLIER -70.91 -40.28 72.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.687 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 5.3 ttp -140.52 141.67 35.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.497 ' CZ3' ' CE2' ' A' ' 23' ' ' TYR . 1.7 m0 -106.42 157.9 17.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 108.033 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -139.41 107.25 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.724 HD13 ' CE1' ' A' ' 79' ' ' TYR . 8.6 tp -59.7 115.41 3.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.253 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.55 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -102.12 -178.47 0.66 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.949 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.02 165.5 31.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 6.3 tt0 86.45 -75.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.582 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 4.4 tt0 162.08 56.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.587 ' HB2' HD21 ' A' ' 86' ' ' LEU . 14.7 mtp180 -153.91 158.58 40.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.888 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-30 -107.44 126.04 51.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.535 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.6 OUTLIER -99.46 117.34 33.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.434 ' OD1' ' CD1' ' A' ' 87' ' ' TRP . 1.6 p30 -89.27 177.28 6.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.69 0.94 42.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 84' ' ' SER . 18.3 t30 -80.44 -2.61 46.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.6 OUTLIER 86.86 34.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.922 ' HB3' HD11 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -141.3 158.92 43.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.203 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.587 HD21 ' HB2' ' A' ' 78' ' ' ARG . 1.3 tt -125.03 114.94 19.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.989 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.3 m95 -89.1 139.42 30.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.062 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.7 tt0 -94.91 122.52 37.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.998 HD12 HD21 ' A' ' 101' ' ' LEU . 16.9 mm -63.18 90.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.77 -44.13 58.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.637 ' CE1' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.66 154.99 3.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.66 ' C ' HD13 ' A' ' 93' ' ' LEU . 71.1 t60 -151.88 112.19 4.11 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.095 . . . . 0.0 109.587 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.731 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -152.91 -170.44 3.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.765 ' HB2' HG22 ' A' ' 8' ' ' VAL . 2.5 ttm -121.44 122.44 39.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.442 1.088 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.7 t -125.72 134.34 66.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 50.07 38.13 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.246 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.448 ' C ' ' HE1' ' A' ' 94' ' ' MET . . . 68.28 24.79 74.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.1 t -131.62 131.53 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.78 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.545 ' OE1' ' NE2' ' A' ' 48' ' ' GLN . 3.2 mt-30 -86.0 112.35 21.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.537 ' HG2' HD21 ' A' ' 102' ' ' LEU . 35.3 tt0 -103.78 113.9 27.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.998 HD21 HD12 ' A' ' 89' ' ' ILE . 1.8 tt -108.34 125.26 51.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.708 HD23 ' C ' ' A' ' 101' ' ' LEU . 1.9 mt -101.68 129.84 47.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.729 HD12 HG21 ' A' ' 46' ' ' VAL . 15.8 mt -118.61 125.86 50.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -114.65 126.62 55.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.989 HD13 ' CD1' ' A' ' 87' ' ' TRP . 43.4 tp -106.37 118.04 35.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 106' ' ' LEU . 7.2 mp -97.91 157.77 34.03 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 121.24 6.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -56.92 106.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -90.38 140.96 29.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.21 153.83 50.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.594 1.184 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.5 p -139.69 96.48 8.49 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 109.95 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 160.41 40.31 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.87 -40.94 1.4 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.535 1.147 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.665 HG22 ' O ' ' A' ' 114' ' ' ILE . 2.1 mp -92.59 77.65 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 0.799 . . . . 0.0 109.341 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -148.07 82.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 109.542 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.26 119.7 7.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.234 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.354 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 p -137.32 176.71 8.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 0.751 . . . . 0.0 110.054 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 8.4 ttm -166.68 86.18 0.29 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.8 152.76 30.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.398 1.061 . . . . 0.0 109.301 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.77 165.78 32.24 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -171.22 135.17 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.24 145.28 31.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.628 HG22 ' CB ' ' A' ' 94' ' ' MET . 4.5 t -67.32 173.54 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.602 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -106.96 -53.76 0.69 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.464 1.102 . . . . 0.0 110.959 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.46 136.69 6.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 0.0 109.247 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.426 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.98 174.51 12.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.525 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.3 Cg_endo -74.98 95.35 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.792 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -43.18 -27.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.807 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -155.07 148.76 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.567 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 49.8 mt -126.77 147.44 49.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.807 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 15.7 m0 -131.03 111.6 12.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 107.959 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.856 HG12 HD13 ' A' ' 69' ' ' LEU . 9.5 p -70.57 122.99 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.632 ' CE1' ' O ' ' A' ' 55' ' ' ASP . 2.1 t-80 -114.78 -33.71 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.087 . . . . 0.0 109.603 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.501 ' HB3' HD13 ' A' ' 22' ' ' ILE . 2.0 mt-30 -133.22 167.5 20.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.268 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.521 ' HA ' ' CB ' ' A' ' 60' ' ' SER . 13.5 pt-20 -59.87 108.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 77.89 22.14 69.71 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.464 1.103 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.582 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.3 mp -124.15 155.47 31.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.574 0.808 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.0 m-85 -153.3 152.94 31.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -110.48 132.48 54.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' ARG . 26.9 t0 -80.12 178.68 8.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.374 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.553 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 26.5 tt0 -93.72 18.87 9.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -144.9 29.13 1.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 67.26 45.56 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.591 ' NH1' HE22 ' A' ' 99' ' ' GLN . 1.4 mtm180 -122.42 116.16 23.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.602 1.189 . . . . 0.0 110.264 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 p -79.95 139.05 37.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.896 ' HB3' HG12 ' A' ' 46' ' ' VAL . 58.4 m95 -123.54 152.93 41.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 107.984 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.861 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -121.48 96.41 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -83.11 103.93 12.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.494 ' O ' HG12 ' A' ' 34' ' ' VAL . 55.6 t -91.0 75.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 p -41.79 111.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -120.31 92.11 3.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -50.03 112.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -70.51 164.3 25.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.8 m -49.3 -36.17 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.05 38.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.022 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.748 ' C ' HD22 ' A' ' 42' ' ' LEU . 12.2 m-85 -161.72 -177.47 5.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.748 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.3 mm? -123.01 107.92 12.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.221 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -113.2 125.92 54.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.88 93.12 4.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 33' ' ' ALA . 2.9 ttm-85 -68.54 106.04 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.896 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -93.86 108.39 20.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.566 ' HG2' HD12 ' A' ' 49' ' ' ILE . 2.2 tt0 -106.33 129.46 54.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.455 ' O ' HG13 ' A' ' 98' ' ' VAL . 1.6 tm0? -87.91 120.92 29.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.364 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.861 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -148.4 162.49 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -89.62 107.42 19.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.421 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 25.5 m -151.27 140.17 13.47 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.1 Cg_endo -75.07 138.09 22.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.789 . . . . 0.0 110.933 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.514 HD22 ' HB3' ' A' ' 18' ' ' HIS . 1.0 OUTLIER -82.49 112.12 19.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.12 -102.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.632 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -95.62 163.95 12.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 0.795 . . . . 0.0 109.312 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.566 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . . . -137.03 53.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.426 ' C ' ' HD3' ' A' ' 59' ' ' PRO . . . -90.79 -107.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.521 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -134.05 58.67 32.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.4 Cg_endo -74.99 -68.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.522 1.801 . . . . 0.0 111.052 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.521 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -81.96 25.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 110.048 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.742 ' CE1' HD21 ' A' ' 69' ' ' LEU . 8.6 m170 -115.02 -36.03 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mt -103.93 -33.23 8.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 59' ' ' PRO . 3.1 mm? -78.19 -55.3 5.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.505 ' CG2' HD13 ' A' ' 67' ' ' LEU . 46.1 m -70.33 -73.26 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.367 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 p 66.86 37.54 4.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -146.29 -64.33 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 110.268 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.505 HD13 ' CG2' ' A' ' 64' ' ' THR . 3.7 mp -58.5 144.5 78.73 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.669 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.1 Cg_endo -75.03 149.73 37.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.778 . . . . 0.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.856 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -59.38 -23.04 62.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.606 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -157.47 138.28 13.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.583 ' CD1' ' HG2' ' A' ' 68' ' ' PRO . 1.4 m0 -103.78 157.73 16.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.059 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 80' ' ' MET . 1.0 OUTLIER -138.03 96.87 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.008 HD12 ' N ' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -41.61 125.01 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 1.008 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -121.98 167.69 13.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.949 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.467 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.97 164.75 32.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 0.2 OUTLIER 82.7 9.65 0.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.325 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 70.91 58.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.448 ' CB ' HD11 ' A' ' 86' ' ' LEU . 71.6 mtt180 -155.26 162.06 40.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.761 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-30 -117.52 130.26 56.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.102 . . . . 0.0 111.041 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.656 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -103.87 123.94 48.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.487 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 29.1 p30 -79.13 -173.58 3.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -113.77 0.79 14.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.652 ' O ' ' CB ' ' A' ' 84' ' ' SER . 8.3 t-20 -83.14 -50.47 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 2.9 m 145.38 40.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.996 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.679 ' HD2' HD21 ' A' ' 105' ' ' LEU . 34.2 mtt85 -144.42 157.55 44.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.279 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.656 HD22 ' HA ' ' A' ' 80' ' ' MET . 0.4 OUTLIER -123.39 117.59 25.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.69 ' CE2' HD22 ' A' ' 105' ' ' LEU . 7.6 m95 -97.16 143.56 27.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 107.998 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -102.65 133.71 47.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 110.304 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.077 HD12 HD21 ' A' ' 101' ' ' LEU . 17.7 mm -69.63 89.01 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 102' ' ' LEU . 1.7 mm-40 -47.95 -47.47 32.58 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.695 ' CE1' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -173.86 126.37 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.534 1.146 . . . . 0.0 109.561 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.426 ' NE2' ' HB3' ' A' ' 11' ' ' PRO . 74.2 t60 -119.39 114.18 21.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.596 1.185 . . . . 0.0 109.632 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.695 HD22 ' CE1' ' A' ' 91' ' ' HIS . 0.7 OUTLIER -152.12 177.39 10.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.227 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.628 ' CB ' HG22 ' A' ' 8' ' ' VAL . 5.6 ttm -121.35 134.42 55.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 98' ' ' VAL . 49.4 t -137.15 139.46 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 47.42 40.54 11.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.34 25.27 71.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.1 t -129.35 131.03 67.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.591 HE22 ' NH1' ' A' ' 29' ' ' ARG . 63.7 mt-30 -87.64 118.7 27.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.552 ' HG2' HD21 ' A' ' 102' ' ' LEU . 7.7 tt0 -110.25 103.16 11.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.077 HD21 HD12 ' A' ' 89' ' ' ILE . 2.9 tt -99.93 120.74 40.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.561 ' CD1' ' CD2' ' A' ' 91' ' ' HIS . 2.5 mt -96.99 121.7 39.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.781 HD12 HG21 ' A' ' 46' ' ' VAL . 20.6 mt -111.53 131.97 54.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -123.13 125.66 45.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.244 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.69 HD22 ' CE2' ' A' ' 87' ' ' TRP . 20.7 tp -101.37 123.35 45.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.75 158.82 32.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 167.42 27.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 110.992 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 109' ' ' ASP . 5.7 t0 -115.47 158.44 22.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.386 1.053 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 108' ' ' ASP . 1.5 t70 61.67 131.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 109' ' ' ASP . 2.3 mtm-85 57.01 160.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.33 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 7.4 p 169.46 127.43 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 111' ' ' SER . 18.2 Cg_endo -74.97 136.33 20.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.56 1.821 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.839 ' C ' HD12 ' A' ' 114' ' ' ILE . . . 174.49 153.66 10.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.839 HD12 ' C ' ' A' ' 113' ' ' GLY . 4.2 mp -141.74 153.69 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.32 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -143.05 120.87 11.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.626 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -79.82 148.77 31.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.38 157.17 35.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 110.019 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.1 tpt -177.7 131.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.24 157.47 28.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.81 -162.04 7.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 7' ' ' ASP . 1.9 tp10 -172.13 145.47 1.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 0.769 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -157.71 149.56 22.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.636 HG22 ' HB2' ' A' ' 94' ' ' MET . 25.0 t -69.66 168.35 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.507 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -94.07 -62.38 1.06 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.63 143.35 11.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.65 15.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HB3' ' CG ' ' A' ' 25' ' ' ASP . 18.3 Cg_endo -75.01 95.51 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -44.47 -26.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.768 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -152.63 146.91 25.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.603 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.507 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 66.4 mt -129.03 145.74 51.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.768 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.3 m0 -130.42 110.07 11.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 108.014 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.633 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 10.5 p -71.85 117.7 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.694 ' CE1' ' O ' ' A' ' 55' ' ' ASP . 1.9 t-80 -113.01 -30.31 7.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.551 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -132.55 152.6 51.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 20' ' ' GLU . 1.1 pp20? -51.16 110.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.259 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 76.59 24.32 67.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.1 mp -131.23 148.13 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.633 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.4 m-85 -143.83 152.07 40.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -107.62 132.41 53.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 23.4 t0 -85.69 179.73 7.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -88.74 23.21 2.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.546 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 12.4 m-85 -151.93 45.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.612 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER 49.21 36.75 9.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.86 108.17 17.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 p -74.1 145.7 44.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.419 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.838 ' HB3' HG12 ' A' ' 46' ' ' VAL . 51.9 m95 -124.89 158.33 33.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.948 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -120.54 101.29 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -86.82 104.59 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.339 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.798 HG11 ' NH2' ' A' ' 45' ' ' ARG . 71.5 t -91.97 76.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.494 HG21 ' CG2' ' A' ' 64' ' ' THR . 7.5 p -46.71 105.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -117.45 91.33 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -50.05 120.31 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.318 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 41' ' ' PHE . 0.6 OUTLIER -75.4 160.13 30.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.5 m -46.16 -27.8 1.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 110.375 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -162.24 37.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 110.048 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.736 ' C ' HD22 ' A' ' 42' ' ' LEU . 2.3 m-85 -158.14 -177.34 6.48 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.736 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.3 mm? -122.84 109.33 14.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.536 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -117.89 123.56 46.15 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -115.13 92.28 3.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.798 ' NH2' HG11 ' A' ' 34' ' ' VAL . 6.7 ttm180 -68.6 109.62 3.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.838 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -95.9 113.59 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.568 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.1 tt0 -108.03 128.48 54.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.529 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 1.7 tm0? -86.08 123.94 31.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.948 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -156.86 165.0 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.601 1.188 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -92.76 111.71 23.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 8.4 p -155.7 138.44 10.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.97 134.84 18.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.692 HD22 ' HB3' ' A' ' 18' ' ' HIS . 1.3 mp -78.62 112.28 15.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.29 -114.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.052 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.694 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -76.63 -178.89 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 0.726 . . . . 0.0 109.203 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.424 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . . . -143.78 54.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.217 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.4 -150.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.521 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 23.5 mtt180 -136.15 58.58 22.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.0 Cg_endo -75.04 -60.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.516 1.798 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.1 OUTLIER -67.1 -33.68 76.01 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.478 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 5.0 m170 -59.47 -30.73 68.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mp -99.91 -33.89 10.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.877 HD23 ' N ' ' A' ' 64' ' ' THR . 0.4 OUTLIER -74.0 -62.73 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 109.249 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.877 ' N ' HD23 ' A' ' 63' ' ' LEU . 13.0 m -72.4 -60.59 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.391 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 64' ' ' THR . 60.5 p 60.63 50.63 5.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.483 ' OE1' ' CG2' ' A' ' 35' ' ' VAL . 58.8 mt-30 -136.38 -56.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.6 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.1 mp -70.84 140.21 86.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -74.95 167.35 27.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.768 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.459 HD21 ' CE1' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -73.05 -20.95 60.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.545 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 8.1 ttp -159.44 143.37 14.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.488 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -107.78 159.15 16.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.429 ' CB ' ' O ' ' A' ' 80' ' ' MET . 1.1 tp-100 -138.23 100.95 4.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.947 HD12 ' N ' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -46.43 121.41 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.947 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -120.47 172.75 4.34 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.928 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.592 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.1 Cg_endo -75.02 179.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.586 1.835 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 2.8 mm-40 66.52 16.32 10.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 63.03 54.31 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.666 ' HB2' HD11 ' A' ' 86' ' ' LEU . 7.8 mtm180 -148.25 160.91 42.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.321 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.707 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.1 m-30 -114.25 134.01 55.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.849 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -104.63 123.11 46.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.181 . . . . 0.0 111.041 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.436 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 6.3 p30 -96.09 178.01 5.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.36 2.46 42.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.256 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 84' ' ' SER . 14.0 t-20 -80.18 -2.64 45.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 85.04 39.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.921 ' HB3' HD11 ' A' ' 105' ' ' LEU . 69.6 mtt180 -148.5 158.99 44.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.849 HD22 ' HA ' ' A' ' 80' ' ' MET . 0.9 OUTLIER -119.55 119.32 33.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 1.031 ' CD1' HD13 ' A' ' 105' ' ' LEU . 9.0 m95 -92.39 139.31 30.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 108.071 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.0 tt0 -95.75 127.61 41.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.771 HD12 HD21 ' A' ' 101' ' ' LEU . 6.2 mm -68.42 93.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.436 ' CG ' ' HE3' ' A' ' 104' ' ' LYS . 3.9 mm100 -55.39 -45.7 76.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.584 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.12 146.96 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.575 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.402 ' CG ' ' HG ' ' A' ' 101' ' ' LEU . 76.1 t60 -144.0 110.36 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.608 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.408 HD13 HG23 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -150.95 -172.99 4.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.636 ' HB2' HG22 ' A' ' 8' ' ' VAL . 3.0 ttm -116.34 126.47 53.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.408 HG23 HD13 ' A' ' 93' ' ' LEU . 35.5 t -127.26 133.52 67.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 49.57 37.7 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 69.81 17.89 73.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.568 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.1 t -124.55 130.68 73.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.425 0.721 . . . . 0.0 109.323 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -80.18 114.66 19.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.621 ' HG2' HD21 ' A' ' 102' ' ' LEU . 36.2 tt0 -106.88 106.37 16.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.622 1.201 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.771 HD21 HD12 ' A' ' 89' ' ' ILE . 2.4 tt -102.08 125.58 48.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.634 HD23 ' C ' ' A' ' 101' ' ' LEU . 2.9 mt -102.01 127.33 48.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.607 HD12 HG21 ' A' ' 46' ' ' VAL . 13.4 mt -117.72 131.43 56.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.3 tppp? -120.71 129.99 53.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 1.031 HD13 ' CD1' ' A' ' 87' ' ' TRP . 42.2 tp -110.08 122.41 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.459 ' CD1' ' CE1' ' A' ' 41' ' ' PHE . 3.9 mm? -81.94 144.97 52.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 132.26 15.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -75.39 88.18 2.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.61 150.07 22.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -135.69 152.14 50.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 110.254 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.39 95.78 0.27 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.07 34.78 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.36 -168.13 12.8 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.417 1.073 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 114' ' ' ILE . 1.2 tp -85.06 110.08 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 0.0 109.299 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -74.49 107.67 6.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.638 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -41.25 135.81 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 110.311 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.275 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -47.47 173.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 110.024 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -115.35 124.37 51.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.06 111.62 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.29 -70.91 0.13 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -175.31 152.3 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 0.776 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -121.48 148.65 44.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.639 HG22 ' HB2' ' A' ' 94' ' ' MET . 13.2 t -56.02 171.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.224 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.523 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -99.07 -57.77 0.95 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.64 140.24 8.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.34 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.26 14.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.963 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.474 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.5 Cg_endo -74.91 93.68 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.079 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.44 -27.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.805 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -152.02 145.89 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.596 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 54.9 mt -127.34 146.38 50.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.805 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.5 m0 -130.55 111.17 12.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.625 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.6 p -70.86 121.8 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.448 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.6 t60 -115.79 -32.54 5.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.598 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.3 158.94 42.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.535 ' CG ' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -53.47 109.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 32' ' ' VAL . . . 76.51 22.07 73.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.587 1.179 . . . . 0.0 111.025 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.769 HG21 HD23 ' A' ' 53' ' ' LEU . 1.5 mp -127.91 143.2 41.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.625 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.3 m-85 -140.71 153.63 46.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -108.48 133.72 52.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.44 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 23.1 t0 -87.49 -178.91 6.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -90.85 19.74 5.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.538 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 4.9 m-85 -147.01 44.0 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.538 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 7.5 pt20 48.41 43.82 19.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.402 ' HB2' ' HB3' ' A' ' 25' ' ' ASP . 58.6 mtt180 -121.21 109.2 14.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 p -73.52 143.84 46.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.847 ' HB3' HG12 ' A' ' 46' ' ' VAL . 50.6 m95 -122.5 157.99 30.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.001 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.905 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -119.74 98.37 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -86.72 111.56 20.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.0 t -103.41 102.1 13.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.565 HG21 HG21 ' A' ' 64' ' ' THR . 14.9 p -65.3 123.35 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.82 104.63 2.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.575 ' HG2' HD13 ' A' ' 42' ' ' LEU . 30.7 mt-10 -60.04 158.88 10.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.13 129.91 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 39' ' ' THR . 88.7 m 66.08 23.51 11.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.25 41.05 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.155 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.572 ' C ' HD22 ' A' ' 42' ' ' LEU . 27.4 m-85 -136.9 -171.67 2.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.575 HD13 ' HG2' ' A' ' 37' ' ' GLU . 3.6 mm? -115.6 125.66 53.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.225 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.498 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 12.1 ttp180 -138.57 139.65 38.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 103' ' ' LEU . . . -129.17 107.95 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.53 ' CG ' HD22 ' A' ' 102' ' ' LEU . 2.0 ttm180 -78.11 107.21 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.847 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -91.75 110.96 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.516 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.2 tt0 -107.32 127.53 53.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.621 ' O ' HG13 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -86.3 120.85 28.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.905 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -154.64 166.12 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.38 87.13 4.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.616 HG13 HG12 ' A' ' 49' ' ' ILE . 18.3 m -122.91 139.15 30.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 123.27 7.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.769 HD23 HG21 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -66.38 110.3 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.4 -113.21 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.438 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -59.66 -172.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -160.23 60.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.18 -146.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.54 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 13.7 mtm180 -136.38 57.42 16.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.54 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.4 Cg_endo -74.98 -34.04 4.15 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.509 1.794 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.535 ' HB2' ' CG ' ' A' ' 20' ' ' GLU . 32.4 t -74.0 -43.24 58.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.948 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.494 ' CE1' HG11 ' A' ' 17' ' ' VAL . 7.3 m170 -66.93 -30.13 70.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.571 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 tp -83.74 -32.81 25.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.445 ' C ' HD13 ' A' ' 63' ' ' LEU . 2.3 tm? -83.36 -69.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.565 HG21 HG21 ' A' ' 35' ' ' VAL . 2.8 m -75.22 -59.4 2.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.44 ' O ' ' OG ' ' A' ' 65' ' ' SER . 5.9 p 65.3 60.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.435 ' NE2' HG23 ' A' ' 64' ' ' THR . 31.7 mt-30 -139.62 -52.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.581 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.1 mp -68.1 141.1 93.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.238 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.638 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -75.01 175.48 11.18 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.44 1.758 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.608 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -83.98 -14.13 51.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.228 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.596 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -166.44 139.2 3.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.465 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.9 m0 -106.27 154.09 21.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 107.968 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -135.97 94.94 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.711 HD12 ' N ' ' A' ' 74' ' ' TYR . 3.6 tp -41.75 126.61 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.711 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -124.48 -178.36 0.67 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.579 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.03 170.84 19.53 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.525 1.803 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 2.8 mm-40 72.93 12.45 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 65.29 47.94 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.411 ' HB2' HD21 ' A' ' 86' ' ' LEU . 9.2 mtp180 -137.75 161.67 35.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.698 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.5 m-30 -114.21 125.26 53.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.581 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 1.2 ttt -98.0 121.08 39.49 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.383 1.052 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.449 ' OD2' ' N ' ' A' ' 83' ' ' ASN . 5.7 p30 -92.37 178.63 5.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.361 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -100.58 3.04 42.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 84' ' ' SER . 26.6 t30 -80.18 -3.34 48.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 87.14 38.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.97 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.901 ' HB3' HD11 ' A' ' 105' ' ' LEU . 27.0 mtt180 -148.23 161.01 42.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 79' ' ' TYR . 1.3 tt -122.48 117.97 27.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.981 ' CD1' HD13 ' A' ' 105' ' ' LEU . 7.4 m95 -90.43 138.92 31.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 108.056 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.3 tt0 -97.44 122.86 40.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.062 HD12 HD21 ' A' ' 101' ' ' LEU . 6.0 mm -60.73 89.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -48.93 -45.91 42.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.65 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.7 138.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.546 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -135.38 115.88 13.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.577 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.89 -171.66 3.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.639 ' HB2' HG22 ' A' ' 8' ' ' VAL . 2.7 ttm -118.87 125.64 49.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.2 t -128.06 135.11 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.7 38.95 16.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.432 ' C ' ' HE1' ' A' ' 94' ' ' MET . . . 66.84 25.26 73.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.072 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.1 t -132.44 132.44 60.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 109.219 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.427 ' OE1' ' NE2' ' A' ' 48' ' ' GLN . 26.3 mt-30 -82.12 112.95 19.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.553 ' HG2' HD21 ' A' ' 102' ' ' LEU . 33.6 tt0 -105.8 107.56 18.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.062 HD21 HD12 ' A' ' 89' ' ' ILE . 2.1 tt -101.77 121.89 42.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.65 ' CD1' ' CD2' ' A' ' 91' ' ' HIS . 3.0 mt -97.66 121.48 39.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.827 HD12 HG21 ' A' ' 46' ' ' VAL . 11.9 mt -110.85 128.63 55.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.693 ' NZ ' HD12 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -119.27 129.27 54.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.981 HD13 ' CD1' ' A' ' 87' ' ' TRP . 43.9 tp -109.4 127.76 54.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.693 HD12 ' NZ ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -114.52 158.32 40.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ASP . 18.2 Cg_endo -75.07 93.7 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' PRO . 1.0 OUTLIER -40.18 111.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -128.46 112.38 14.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.211 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -133.91 152.94 52.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.3 p -88.77 125.26 63.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.998 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.2 7.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.418 1.746 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -152.06 164.94 30.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 0.0 111.023 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 114' ' ' ILE . 23.0 mm -130.46 138.05 54.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -137.98 92.7 2.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.585 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.4 ttm105 -62.28 149.54 41.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.03 53.64 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.729 . . . . 0.0 110.057 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 61.47 110.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.21 146.87 15.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.29 -152.3 1.52 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.096 . . . . 0.0 111.031 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 6' ' ' GLU . 7.7 pm0 -167.83 157.04 9.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.96 149.04 49.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 109.389 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.73 HG22 ' HB2' ' A' ' 94' ' ' MET . 58.6 t -44.52 164.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.47 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -76.93 -64.31 2.15 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.398 1.061 . . . . 0.0 111.015 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.2 143.39 10.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.427 0.722 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 172.42 16.39 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.542 1.812 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.536 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 17.9 Cg_endo -75.11 93.91 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.424 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 20.8 t70 -41.84 -28.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.797 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -152.37 148.12 27.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.52 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 66.5 mt -128.89 145.09 51.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.797 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.7 m0 -130.04 109.76 11.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 108.047 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.606 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.3 p -69.43 119.56 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 53' ' ' LEU . 2.6 t60 -114.27 -32.84 5.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.564 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -129.04 159.1 37.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.496 ' O ' HD12 ' A' ' 22' ' ' ILE . 7.1 pm0 -53.42 111.4 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 73.17 27.28 68.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.8 HG21 HD23 ' A' ' 53' ' ' LEU . 1.7 mp -127.8 158.77 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 0.801 . . . . 0.0 109.328 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 13.0 m-85 -154.23 148.78 26.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.54 133.56 50.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 110.283 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -85.34 178.25 7.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 8.4 tt0 -88.17 23.51 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.549 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 13.5 m-85 -153.02 45.37 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.633 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER 50.8 35.92 13.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.272 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.82 114.04 27.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 p -76.99 148.72 36.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.597 1.186 . . . . 0.0 110.416 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.799 ' HB3' HG12 ' A' ' 46' ' ' VAL . 55.4 m95 -132.52 152.73 51.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.889 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -121.77 107.69 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -89.66 113.81 25.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 34' ' ' VAL . 53.6 t -100.34 81.61 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 p -52.74 117.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.419 1.074 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.6 97.62 2.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.95 155.35 36.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.861 ' CD ' HH21 ' A' ' 43' ' ' ARG . 10.2 pt-20 -172.81 149.55 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 39' ' ' THR . 99.6 m 55.99 20.57 4.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t 75.44 41.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.034 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.435 ' C ' HD22 ' A' ' 42' ' ' LEU . 29.0 m-85 -138.22 174.67 10.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.435 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.9 mm? -114.65 97.3 6.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.229 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.861 HH21 ' CD ' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -102.8 121.25 42.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.31 90.31 3.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.469 ' CG ' HD22 ' A' ' 102' ' ' LEU . 3.3 ttm180 -67.21 108.14 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.286 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.799 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.8 t -95.07 112.93 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.8 tt0 -110.33 129.97 55.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.575 ' O ' HG13 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -89.08 123.49 33.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.889 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -148.17 164.07 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.329 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.0 86.07 4.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.582 1.176 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 26.7 m -131.22 140.95 40.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.2 Cg_endo -75.01 135.71 19.42 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.555 1.818 . . . . 0.0 111.002 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.8 HD23 HG21 ' A' ' 22' ' ' ILE . 0.8 OUTLIER -80.1 114.96 19.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.9 -116.97 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.463 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 0.6 OUTLIER -65.24 -172.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 0.8 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.545 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . . . -159.79 64.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.597 1.186 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.406 ' C ' ' HD3' ' A' ' 59' ' ' PRO . . . -111.76 -141.8 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.561 ' O ' HD23 ' A' ' 62' ' ' LEU . 47.5 mtt180 -134.99 58.88 30.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.2 Cg_endo -75.0 -72.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.576 1.83 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.43 ' HB2' ' CB ' ' A' ' 20' ' ' GLU . 3.7 t -52.54 -33.41 45.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.025 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.503 ' CD2' ' CD2' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -59.63 -42.44 92.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.606 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 58' ' ' ARG . 4.0 mm? -90.7 -17.97 25.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -80.41 -62.95 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' SER . 1.2 m -83.4 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.425 ' O ' ' OG ' ' A' ' 65' ' ' SER . 4.8 p 78.05 54.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.4 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 1.7 mp0 -140.0 -58.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.575 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.0 mp -65.3 139.35 97.43 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.677 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.1 Cg_endo -74.99 167.63 26.63 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.503 ' CD2' ' CD2' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -76.92 -6.9 54.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.563 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -171.03 145.09 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.515 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.4 m0 -112.16 155.93 23.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 107.97 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 80' ' ' MET . 1.1 tp-100 -136.05 101.77 4.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.823 HD13 ' CE1' ' A' ' 79' ' ' TYR . 14.3 tp -51.62 122.44 8.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.356 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.585 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -109.42 -179.34 0.66 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.468 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -74.9 169.02 23.53 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 1.1 tt0 80.63 -78.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.544 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 1.5 tt0 167.19 53.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.718 ' CB ' HD11 ' A' ' 86' ' ' LEU . 42.6 mtt180 -147.9 160.43 42.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.823 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.2 m-30 -112.72 131.08 55.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.821 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -102.27 124.82 48.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.464 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 31.6 p30 -80.36 -175.07 4.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.314 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.97 2.95 17.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.663 ' O ' ' CB ' ' A' ' 84' ' ' SER . 21.9 t30 -85.46 -49.17 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.663 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 6.6 t 142.78 42.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.67 ' HB3' HD11 ' A' ' 105' ' ' LEU . 34.8 mtt180 -147.91 156.65 42.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.065 . . . . 0.0 110.316 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.821 HD22 ' HA ' ' A' ' 80' ' ' MET . 1.1 tm? -120.02 119.84 34.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.677 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 7.9 m95 -94.07 138.47 32.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 108.054 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.2 tt0 -95.43 122.53 38.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.082 HD12 HD21 ' A' ' 101' ' ' LEU . 9.3 mm -63.87 93.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -45.39 67.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.633 ' CE1' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.99 147.18 2.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.663 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.52 ' C ' HD13 ' A' ' 93' ' ' LEU . 74.2 t60 -141.53 112.54 7.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.118 . . . . 0.0 109.651 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.657 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -153.47 -171.25 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.73 ' HB2' HG22 ' A' ' 8' ' ' VAL . 2.2 ttm -120.29 122.35 40.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.0 t -124.46 133.73 68.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 51.2 39.02 22.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.646 ' C ' ' HE2' ' A' ' 94' ' ' MET . . . 66.06 25.99 72.27 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.2 t -132.67 131.31 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -81.0 115.17 20.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.562 ' HG2' HD21 ' A' ' 102' ' ' LEU . 33.6 tt0 -108.76 109.86 21.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.082 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -105.51 122.1 45.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.363 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.633 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 2.2 mt -97.87 124.95 42.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.753 HD12 HG21 ' A' ' 46' ' ' VAL . 15.6 mt -115.02 128.55 56.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 88' ' ' GLN . 1.5 tppp? -118.1 128.23 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.675 HD22 ' CZ2' ' A' ' 87' ' ' TRP . 39.1 tp -106.68 120.2 41.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 3.6 mm? -72.67 144.87 86.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 106' ' ' LEU . 18.2 Cg_endo -74.89 119.02 5.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 111.017 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -50.6 107.19 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -42.15 123.36 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -138.96 153.66 48.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.328 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.1 t -61.62 116.71 22.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.037 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 164.7 32.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.43 -166.63 42.48 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 114' ' ' ILE . 0.6 OUTLIER -96.59 117.09 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.254 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -93.68 102.4 14.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.579 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 66.34 92.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.0 p -147.23 128.31 14.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.78 . . . . 0.0 109.954 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.1 ttt -158.83 157.02 30.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -158.51 155.16 27.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.34 -158.68 0.06 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -175.08 141.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 0.719 . . . . 0.0 110.313 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.72 153.89 38.84 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.62 HG12 ' H ' ' A' ' 9' ' ' GLY . 4.6 t -55.71 174.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.62 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -110.86 -57.23 0.49 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.89 138.37 7.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.43 0.724 . . . . 0.0 109.384 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HB2' ' OH ' ' A' ' 79' ' ' TYR . 18.6 Cg_endo -74.96 173.78 13.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.494 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -74.97 93.93 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.548 1.815 . . . . 0.0 111.033 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.438 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 15.6 t70 -43.42 -27.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.805 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -152.35 150.13 29.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.563 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.489 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 60.2 mt -131.04 146.11 52.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.805 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -130.79 110.78 11.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 108.008 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.593 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 10.7 p -70.01 118.1 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.489 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 1.7 t-160 -113.88 -32.91 5.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.601 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -129.86 162.03 29.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.48 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 24.4 tt0 -55.27 112.29 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 70.72 22.29 78.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 20' ' ' GLU . 1.2 mp -124.88 144.79 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.3 m-85 -139.91 152.63 46.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.985 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -108.45 133.2 52.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 29' ' ' ARG . 13.4 t0 -82.06 -177.77 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 1.195 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 11.9 pt-20 -96.69 19.57 12.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.251 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -143.77 28.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 65.35 47.12 2.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 63.6 mtt180 -125.61 115.55 20.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.335 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.2 p -76.16 147.05 38.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 110.385 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.823 ' HB3' HG12 ' A' ' 46' ' ' VAL . 59.2 m95 -128.74 157.08 42.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.011 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.873 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -123.43 96.79 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.472 ' HB1' ' CD2' ' A' ' 67' ' ' LEU . . . -82.9 99.68 9.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.39 1.056 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.444 HG23 HG12 ' A' ' 32' ' ' VAL . 59.2 t -86.28 81.26 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 35' ' ' VAL . 5.4 p -47.04 101.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -108.1 95.37 5.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.54 103.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.467 ' CB ' ' HB2' ' A' ' 41' ' ' PHE . 0.7 OUTLIER -62.16 161.98 10.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.9 m -48.1 -31.56 5.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.425 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.9 t -157.76 39.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.953 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.748 ' C ' HD22 ' A' ' 42' ' ' LEU . 4.1 m-85 -159.3 -177.79 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.748 HD22 ' C ' ' A' ' 41' ' ' PHE . 2.9 mm? -124.03 102.41 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 0.1 OUTLIER -108.95 128.37 54.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.432 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -117.51 89.87 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.489 ' CG ' HD22 ' A' ' 102' ' ' LEU . 2.6 ttm180 -66.77 106.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.823 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.2 t -93.44 108.17 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.57 ' CD ' HG11 ' A' ' 98' ' ' VAL . 0.9 OUTLIER -105.65 126.77 52.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.525 ' O ' HG13 ' A' ' 98' ' ' VAL . 0.4 OUTLIER -85.95 120.19 27.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.332 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.873 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -154.33 161.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.58 117.09 25.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.443 ' CG2' ' HD2' ' A' ' 52' ' ' PRO . 7.5 p -154.91 139.79 11.96 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.443 ' HD2' ' CG2' ' A' ' 51' ' ' VAL . 18.5 Cg_endo -74.99 132.4 15.4 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.56 1.821 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.429 HD23 HG21 ' A' ' 22' ' ' ILE . 1.3 mt -79.15 108.42 12.64 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 109.377 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.85 -113.49 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.489 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -66.25 -171.74 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 0.811 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -155.43 58.42 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.69 -147.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.562 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -136.62 56.37 13.26 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.562 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -75.05 -47.05 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.432 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . 5.2 p -74.28 -0.58 17.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.954 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.575 ' ND1' HD21 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -107.19 -41.63 5.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.6 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.414 HD12 ' HB2' ' A' ' 58' ' ' ARG . 0.9 OUTLIER -87.14 -41.23 13.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' PRO . 2.1 tt -70.22 -65.42 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.492 ' CG2' ' HB2' ' A' ' 66' ' ' GLN . 1.4 m -70.06 -66.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.1 p 71.81 39.51 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.492 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -124.2 -62.63 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.588 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.9 mp -66.38 143.16 98.13 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.646 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.96 167.67 26.53 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.482 1.78 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.575 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -74.96 -19.31 60.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.605 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -161.22 140.82 10.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 1.097 . . . . 0.0 111.042 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.493 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.7 m0 -106.51 155.15 19.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 108.001 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -136.62 101.19 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.806 HD13 ' CE1' ' A' ' 79' ' ' TYR . 9.2 tp -51.93 113.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.574 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -101.25 -177.79 0.6 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.984 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.574 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.0 Cg_endo -74.98 173.36 14.64 Favored 'Trans proline' 0 C--N 1.362 1.237 0 O-C-N 124.389 1.731 . . . . 0.0 110.973 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.4 OUTLIER 81.0 -80.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.613 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 16.1 tt0 167.44 50.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.449 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -147.72 164.43 33.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.245 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.806 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.2 m-85 -112.24 123.14 49.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.568 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -97.55 117.66 32.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.477 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 24.7 p-10 -70.83 -168.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -117.56 -0.73 11.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.636 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.7 t-20 -81.84 -51.17 8.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 2.7 m 146.96 40.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.887 ' HB3' HD11 ' A' ' 105' ' ' LEU . 11.0 mtt180 -145.35 161.35 39.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 78' ' ' ARG . 1.2 tt -126.38 117.33 22.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.926 ' CD1' HD13 ' A' ' 105' ' ' LEU . 9.4 m95 -91.49 134.34 34.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 107.988 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 104' ' ' LYS . 1.9 tt0 -92.1 121.34 33.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.072 HD12 HD21 ' A' ' 101' ' ' LEU . 8.0 mm -63.6 91.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -46.1 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.574 ' CE1' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.02 142.81 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.615 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.414 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . 74.4 t60 -136.15 114.83 11.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.67 -170.87 3.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.576 ' HB2' HG22 ' A' ' 8' ' ' VAL . 4.1 ttm -123.68 128.47 49.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' VAL . 24.5 t -127.8 135.69 62.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 47.46 38.49 7.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.441 ' C ' ' HE1' ' A' ' 94' ' ' MET . . . 68.55 25.85 74.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.57 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.2 t -130.61 129.89 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 0.747 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.615 ' CD ' HG13 ' A' ' 8' ' ' VAL . 42.9 mt-30 -81.44 114.23 20.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.621 ' HG2' HD21 ' A' ' 102' ' ' LEU . 32.7 tt0 -107.13 105.58 15.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.072 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -102.09 121.4 42.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.621 HD21 ' HG2' ' A' ' 100' ' ' GLU . 2.7 mt -97.51 123.12 41.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.708 HD12 HG21 ' A' ' 46' ' ' VAL . 15.0 mt -113.18 129.31 56.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.5 tppp? -117.03 126.0 52.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.926 HD13 ' CD1' ' A' ' 87' ' ' TRP . 34.6 tp -106.32 117.86 35.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.3 mm? -74.5 143.9 80.0 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 106' ' ' LEU . 18.0 Cg_endo -75.0 159.34 41.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.419 1.747 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -119.25 87.58 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.7 t70 61.85 99.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.356 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -126.24 146.41 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 110' ' ' ARG . 0.2 OUTLIER 61.28 129.29 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.066 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 74.24 4.07 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.429 1.752 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.59 106.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.73 124.13 63.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.633 0.843 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -135.33 92.53 2.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 109.559 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -170.18 150.77 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.28 172.05 8.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.779 . . . . 0.0 110.028 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.3 ttm -177.82 151.17 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 110.938 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.14 155.31 24.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.09 -146.93 1.44 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.407 1.067 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -171.93 138.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 110.331 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.51 150.64 28.01 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.138 . . . . 0.0 109.392 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.909 HG22 ' HB2' ' A' ' 94' ' ' MET . 21.7 t -60.52 169.76 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.523 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -91.9 -62.57 1.18 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.56 145.24 10.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.499 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.97 173.88 13.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.807 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.521 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.2 Cg_endo -74.99 99.85 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -45.91 -25.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.818 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -157.64 147.1 20.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.62 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 53.1 mt -125.8 146.88 49.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.818 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 16.0 m0 -130.69 111.37 12.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 107.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.912 HG12 HD13 ' A' ' 69' ' ' LEU . 9.6 p -70.6 118.61 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.658 ' CE1' ' O ' ' A' ' 55' ' ' ASP . 1.9 t-80 -114.81 -33.5 5.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.553 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -130.3 155.68 45.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HA ' ' HB3' ' A' ' 60' ' ' SER . 2.8 pm0 -50.01 111.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.38 20.37 79.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.529 HG21 HD23 ' A' ' 53' ' ' LEU . 1.1 mp -124.24 138.59 53.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.592 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 13.3 m-85 -134.11 153.01 52.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.77 131.89 54.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' ARG . 17.5 t0 -79.06 178.78 7.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 15.1 tt0 -94.02 19.7 8.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -143.69 23.53 1.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.061 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.98 44.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.65 ' HB3' HE22 ' A' ' 48' ' ' GLN . 0.0 OUTLIER -122.19 117.62 26.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.273 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.626 ' CG2' HD11 ' A' ' 53' ' ' LEU . 2.9 p -79.98 140.9 36.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.864 ' HB3' HG12 ' A' ' 46' ' ' VAL . 56.2 m95 -124.02 150.51 44.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.849 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.4 t -113.25 88.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -81.63 113.25 19.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 45' ' ' ARG . 26.9 m -112.22 106.56 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.603 HG11 HG23 ' A' ' 64' ' ' THR . 5.4 p -59.01 116.68 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.18 78.92 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.89 105.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.456 ' CB ' ' HB2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -67.99 163.02 23.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -46.44 -26.8 0.92 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -165.28 42.23 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.005 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.859 ' C ' HD22 ' A' ' 42' ' ' LEU . 8.7 m-85 -159.03 -176.96 6.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.859 HD22 ' C ' ' A' ' 41' ' ' PHE . 2.8 mm? -126.56 95.91 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 28.3 ttm180 -107.37 133.74 51.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.419 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -119.29 104.94 10.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.329 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.479 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 5.2 ttm180 -76.95 110.55 11.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.152 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.864 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -96.97 111.41 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.693 ' HG2' HD12 ' A' ' 49' ' ' ILE . 2.8 tt0 -106.96 133.79 51.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.656 ' NE2' ' CE2' ' A' ' 31' ' ' TRP . 2.5 tp-100 -87.5 125.65 34.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.344 1.027 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.849 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -152.94 170.43 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.87 99.03 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 24.1 m -140.52 136.64 16.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -74.98 138.24 22.83 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.626 HD11 ' CG2' ' A' ' 30' ' ' THR . 2.1 mp -93.93 116.35 28.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.407 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -122.3 61.47 0.55 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.549 1.156 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.658 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 0.8 OUTLIER 153.97 134.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 0.792 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.92 48.33 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.47 -146.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 33.0 mtt180 -135.58 60.83 39.68 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.375 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.467 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -74.94 -90.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.52 1.8 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 64' ' ' THR . 12.6 p -44.89 -26.33 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.473 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 6.0 m170 -60.57 -49.68 76.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.81 -9.25 32.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -89.4 -63.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.603 HG23 HG11 ' A' ' 35' ' ' VAL . 45.3 m -74.66 -60.34 2.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 110.418 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 p 68.1 39.94 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 110.014 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -130.88 -60.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.8 mp -66.06 141.01 97.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.674 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.05 171.38 18.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.912 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -76.52 -21.16 56.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.53 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 2.6 tmm? -158.52 143.97 16.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.485 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -109.22 154.36 22.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 108.037 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -135.81 96.41 3.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 74' ' ' TYR . 1.8 tp -44.53 125.86 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.764 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -125.91 -178.99 0.8 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.56 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -74.94 176.46 9.86 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.451 1.764 . . . . 0.0 111.003 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 52.0 mm-40 66.88 17.6 10.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 59.82 50.76 6.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.61 ' HB2' HD21 ' A' ' 86' ' ' LEU . 16.7 mtt180 -141.68 158.9 43.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.723 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.3 m-30 -111.25 127.67 55.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.583 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -99.76 117.01 33.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 83' ' ' ASN . 6.6 p30 -90.73 -179.93 5.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -99.76 1.76 43.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -79.14 -2.64 41.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER 84.75 35.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.088 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.839 ' HB3' HD11 ' A' ' 105' ' ' LEU . 1.1 mtt180 -142.07 162.7 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.61 HD21 ' HB2' ' A' ' 78' ' ' ARG . 0.8 OUTLIER -125.4 113.16 17.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 1.007 ' CD1' HD13 ' A' ' 105' ' ' LEU . 7.7 m95 -86.29 140.09 30.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 108.078 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.7 tt0 -97.32 122.79 40.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.024 HD12 HD21 ' A' ' 101' ' ' LEU . 5.8 mm -63.47 92.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.89 -44.37 66.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.605 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.07 142.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.622 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 66.8 t60 -140.52 113.28 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.492 ' CD2' ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -159.25 -176.72 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.909 ' HB2' HG22 ' A' ' 8' ' ' VAL . 2.5 ttm -110.0 124.06 50.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.068 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.469 HG23 HD23 ' A' ' 93' ' ' LEU . 17.9 t -124.17 132.99 70.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 49.7 37.98 14.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.379 1.049 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.401 ' C ' ' HE1' ' A' ' 94' ' ' MET . . . 68.88 25.21 75.43 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.1 t -133.62 130.6 56.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.424 ' HG2' ' CG1' ' A' ' 8' ' ' VAL . 5.1 mt-30 -79.97 115.03 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.562 ' HG2' HD21 ' A' ' 102' ' ' LEU . 33.8 tt0 -109.56 107.77 17.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.024 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -102.6 122.06 43.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.605 ' CD1' ' CD2' ' A' ' 91' ' ' HIS . 2.6 mt -98.26 125.96 43.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.723 HD12 HG21 ' A' ' 46' ' ' VAL . 23.3 mt -116.58 125.8 52.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -114.98 128.22 56.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 109.225 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 1.007 HD13 ' CD1' ' A' ' 87' ' ' TRP . 32.6 tp -108.18 127.92 54.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 106' ' ' LEU . 5.1 mp -89.81 152.61 46.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 149.98 37.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.431 1.753 . . . . 0.0 111.032 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -85.89 109.84 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.36 136.39 5.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.07 153.2 51.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.227 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.26 129.18 2.77 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.9 35.94 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 114' ' ' ILE . . . -147.82 94.94 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.571 1.169 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.549 HG23 ' O ' ' A' ' 114' ' ' ILE . 8.5 tp 35.88 87.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.439 0.729 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 33.3 p80 -95.05 88.06 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.578 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.61 140.4 26.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 t -168.68 -63.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.42 122.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 110.972 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.08 148.66 17.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.78 120.41 4.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -71.42 155.18 40.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.78 . . . . 0.0 110.305 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.99 149.07 7.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.511 HG22 ' HB2' ' A' ' 94' ' ' MET . 24.3 t -62.88 168.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.507 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -89.14 -63.65 1.31 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.72 141.67 9.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.807 . . . . 0.0 109.316 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 173.41 14.55 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.471 1.774 . . . . 0.0 111.035 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.2 Cg_endo -75.02 96.56 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -43.72 -27.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.809 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -155.02 148.59 25.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 66.9 mt -128.04 147.15 50.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.809 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.8 m0 -130.7 111.02 11.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 107.985 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.814 HG12 HD13 ' A' ' 69' ' ' LEU . 7.0 p -71.17 120.11 18.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.404 1.065 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.537 ' CD2' ' HB3' ' A' ' 53' ' ' LEU . 1.6 t60 -114.97 -33.27 5.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.625 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.57 157.31 43.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -52.75 112.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.299 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.469 ' C ' HD12 ' A' ' 22' ' ' ILE . . . 73.73 29.38 63.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.587 1.18 . . . . 0.0 111.068 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.0 mp -134.31 151.98 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.624 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 14.0 m-85 -148.97 150.01 32.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 16' ' ' TRP . 2.2 ttp180 -105.07 132.88 50.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' ARG . 14.0 t0 -80.16 178.98 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.553 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 11.5 tt0 -92.95 23.97 3.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -150.47 30.46 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 65.57 42.35 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.343 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -117.84 115.18 24.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.9 p -76.82 145.74 38.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.454 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.801 ' HB3' HG12 ' A' ' 46' ' ' VAL . 59.6 m95 -129.22 159.13 37.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 108.009 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.9 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -126.36 101.35 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -87.83 119.96 28.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 45' ' ' ARG . 98.6 t -111.32 99.7 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.7 p -62.23 120.9 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -145.22 96.32 2.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.09 . . . . 0.0 110.329 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 12.3 pt-20 -70.95 133.01 46.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 41' ' ' PHE . 6.9 mt-10 -141.96 142.65 33.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.488 ' HB ' ' CE2' ' A' ' 41' ' ' PHE . 99.9 m 53.01 25.1 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.455 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 m 76.92 42.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.866 ' C ' HD22 ' A' ' 42' ' ' LEU . 24.6 m-85 -127.62 179.59 5.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.974 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.866 HD22 ' C ' ' A' ' 41' ' ' PHE . 2.2 mm? -125.51 90.73 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.625 HH21 ' HZ1' ' A' ' 104' ' ' LYS . 24.8 ttm180 -102.08 126.28 48.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.443 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -113.44 84.96 2.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.575 ' HG3' HD22 ' A' ' 102' ' ' LEU . 6.3 ttm180 -60.47 108.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.153 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.801 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.4 t -96.5 115.72 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.584 ' CD ' HG11 ' A' ' 98' ' ' VAL . 2.5 tt0 -111.47 126.9 55.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.068 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.469 ' C ' HG23 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -85.5 119.4 25.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.9 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -154.48 160.85 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -89.08 114.3 25.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.488 HG23 ' HD2' ' A' ' 52' ' ' PRO . 6.1 p -153.28 139.04 11.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.488 ' HD2' HG23 ' A' ' 51' ' ' VAL . 18.5 Cg_endo -75.0 126.1 9.75 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.449 1.763 . . . . 0.0 110.964 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.537 ' HB3' ' CD2' ' A' ' 18' ' ' HIS . 4.6 mt -68.81 112.56 5.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.12 -95.28 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.445 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 4.5 m-20 -77.26 -174.43 3.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.4 56.91 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.65 -148.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.53 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 29.5 mtt180 -138.3 57.78 13.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.2 Cg_endo -75.01 -30.29 7.3 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.569 1.826 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.1 OUTLIER -76.57 -43.63 38.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.832 ' CE1' HD22 ' A' ' 69' ' ' LEU . 8.0 m170 -66.92 -29.98 70.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 109.61 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 mt -80.4 -37.84 31.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 tp -81.31 -70.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 60' ' ' SER . 1.8 m -71.13 -58.83 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 5.6 p 63.54 57.38 1.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -135.76 -54.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.601 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.8 mp -69.41 138.37 88.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.664 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.99 175.12 11.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.525 1.803 . . . . 0.0 111.053 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.832 HD22 ' CE1' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -81.0 -22.89 39.07 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.61 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -154.97 142.16 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.518 ' CE2' HD13 ' A' ' 103' ' ' LEU . 1.5 m0 -108.44 157.71 18.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' MET . 1.2 tp-100 -137.68 103.47 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.847 HD13 ' HE1' ' A' ' 79' ' ' TYR . 10.4 tp -54.12 113.63 1.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.575 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.76 -178.73 0.76 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.532 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.03 173.18 14.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.437 1.756 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.6 OUTLIER 79.0 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.416 1.072 . . . . 0.0 110.311 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 43.4 tt0 171.5 48.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.639 ' CB ' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -145.49 166.51 25.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.847 ' HE1' HD13 ' A' ' 73' ' ' LEU . 2.2 m-85 -115.42 135.24 54.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.785 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -106.01 127.32 53.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 81' ' ' ASP . 36.2 p30 -93.6 -174.33 3.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.62 -3.12 18.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.525 ' O ' ' CB ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -80.73 -3.46 50.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 1.1 t 87.79 39.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.846 ' HB3' HD11 ' A' ' 105' ' ' LEU . 29.2 mtt180 -143.34 149.26 37.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.785 HD22 ' HA ' ' A' ' 80' ' ' MET . 1.0 OUTLIER -114.48 120.57 40.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.893 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.5 m95 -95.71 135.09 37.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 104' ' ' LYS . 1.3 tt0 -91.81 125.08 36.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.98 ' CD1' HD21 ' A' ' 101' ' ' LEU . 8.6 mm -64.15 85.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 109.322 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.412 ' CG ' ' HB2' ' A' ' 104' ' ' LYS . 2.8 mm-40 -47.43 -46.98 26.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.567 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.96 137.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.592 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -132.93 114.37 13.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 109.604 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.445 HD21 ' ND1' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -152.95 -171.22 3.86 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.511 ' HB2' HG22 ' A' ' 8' ' ' VAL . 5.3 ttm -127.89 133.51 49.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 98' ' ' VAL . 44.9 t -134.47 138.07 50.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.6 mmp_? 48.34 38.3 10.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.419 ' C ' ' HE1' ' A' ' 94' ' ' MET . . . 67.9 24.84 74.36 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.584 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.1 t -128.95 132.04 67.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -84.57 117.48 23.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.56 ' HG2' HD21 ' A' ' 102' ' ' LEU . 2.2 tt0 -109.06 103.21 12.18 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.98 HD21 ' CD1' ' A' ' 89' ' ' ILE . 3.3 tt -101.33 120.87 40.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.628 HD23 ' N ' ' A' ' 102' ' ' LEU . 2.1 mt -97.7 122.39 40.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.612 HD12 HG21 ' A' ' 46' ' ' VAL . 21.9 mt -111.95 126.53 55.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.625 ' HZ1' HH21 ' A' ' 43' ' ' ARG . 1.2 tppt? -116.92 125.2 51.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.893 HD13 ' CD1' ' A' ' 87' ' ' TRP . 31.8 tp -103.41 112.37 25.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.753 HD23 ' H ' ' A' ' 106' ' ' LEU . 2.4 pt? -91.88 158.65 39.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.11 11.2 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 89.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -141.77 153.48 44.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -136.39 153.63 51.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 t 45.95 82.43 0.23 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 164.76 32.7 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -172.29 62.32 0.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 16.3 mm -100.9 111.94 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.794 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -140.58 120.65 13.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.618 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.83 141.89 58.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.078 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.25 113.62 16.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 177.54 130.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.75 106.59 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 144.04 109.02 0.65 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -172.35 155.0 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -154.66 149.3 26.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.75 HG22 ' HB2' ' A' ' 94' ' ' MET . 16.9 t -67.17 170.68 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.514 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -101.95 -54.5 0.91 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.456 1.097 . . . . 0.0 111.063 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.25 132.58 4.35 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.462 0.743 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.63 15.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.568 1.825 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.525 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.2 Cg_endo -75.07 92.14 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.464 1.771 . . . . 0.0 111.034 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.512 ' HA ' ' CB ' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -43.5 -26.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.802 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -150.23 148.07 28.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.621 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.5 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 62.3 mt -130.63 147.24 52.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.802 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.2 m0 -131.8 110.23 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.018 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.791 HG12 HD13 ' A' ' 69' ' ' LEU . 9.8 p -70.32 119.09 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.854 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 1.7 t-80 -113.7 -27.58 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.05 159.34 42.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -54.21 111.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 110.384 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 73.5 22.85 78.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.708 HG21 HD23 ' A' ' 53' ' ' LEU . 1.2 mp -127.67 142.82 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.0 m-85 -137.84 155.32 49.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 111.023 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -110.32 129.85 55.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.476 ' CB ' ' HB2' ' A' ' 29' ' ' ARG . 21.4 t0 -80.74 177.09 9.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.39 21.18 4.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -144.4 28.7 1.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 63.71 46.07 4.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.476 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -125.66 114.35 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.358 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.437 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 5.4 p -74.98 142.7 43.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.426 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.815 ' HB3' HG12 ' A' ' 46' ' ' VAL . 49.8 m95 -122.09 153.95 37.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.939 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -116.44 100.55 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -86.51 103.78 15.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.3 t -93.54 84.6 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -47.46 110.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.247 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.21 92.64 3.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.078 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.73 112.84 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -70.01 161.51 29.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.7 m -47.59 -31.94 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.079 . . . . 0.0 110.359 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.27 39.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' C ' HD22 ' A' ' 42' ' ' LEU . 8.9 m-85 -161.29 179.99 7.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.441 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.9 mm? -118.96 115.62 24.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 49.3 ttp180 -121.09 129.14 53.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.91 93.67 4.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -69.58 107.38 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.815 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.4 t -95.75 111.81 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -107.72 130.25 54.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.478 ' NE2' ' CD1' ' A' ' 31' ' ' TRP . 0.3 OUTLIER -88.02 121.21 30.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.342 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.939 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -150.24 163.92 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 -96.25 93.22 6.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 11.6 m -136.47 140.14 31.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.5 Cg_endo -75.02 136.96 21.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.708 HD23 HG21 ' A' ' 22' ' ' ILE . 1.2 mp -81.45 114.07 19.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.581 1.176 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.85 -103.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.63 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 32.4 m-20 -77.3 -176.39 4.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.854 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . . . -158.87 63.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.411 ' C ' ' HD3' ' A' ' 59' ' ' PRO . . . -112.6 -138.81 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HB3' HD12 ' A' ' 62' ' ' LEU . 1.9 mtm180 -131.45 63.62 70.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.411 ' HD3' ' C ' ' A' ' 57' ' ' ALA . 17.9 Cg_endo -74.99 -77.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.479 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -63.48 -29.98 71.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.924 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.494 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.2 m170 -58.4 -28.67 65.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.608 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.473 HD12 ' HB3' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -107.44 -30.01 8.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -75.31 -58.75 3.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.614 HG23 ' OE1' ' A' ' 66' ' ' GLN . 16.7 m -72.77 -66.1 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.406 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.7 p 71.03 38.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.059 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.614 ' OE1' HG23 ' A' ' 64' ' ' THR . 2.6 mt-30 -125.78 -63.11 1.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 110.244 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.559 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.9 mp -65.23 140.66 97.95 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.676 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.5 Cg_endo -74.88 164.46 33.44 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.791 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -72.27 -17.93 61.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.523 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 1.9 tmm? -160.92 143.98 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.504 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -109.84 154.56 22.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 80' ' ' MET . 1.2 tp-100 -133.86 97.02 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.842 HD13 ' CE1' ' A' ' 79' ' ' TYR . 13.5 tp -46.86 117.85 1.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.581 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -102.59 -179.15 0.74 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.01 165.6 30.95 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 2.8 tt0 82.4 -76.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.553 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 2.2 tt0 168.43 50.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.513 ' CB ' HD11 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -142.05 161.13 38.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.842 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-85 -115.19 119.32 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.581 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -93.31 129.43 39.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 5.3 p30 -100.09 177.73 5.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -98.67 1.47 46.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -79.87 -5.4 55.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 1.8 t 88.47 32.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 109.977 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.686 ' HB3' HD11 ' A' ' 105' ' ' LEU . 2.3 mtt180 -137.48 156.1 48.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.513 HD11 ' CB ' ' A' ' 78' ' ' ARG . 2.4 tm? -119.78 117.22 27.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.862 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 9.8 m95 -91.31 139.5 30.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 107.996 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.575 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.7 tt0 -99.88 120.79 40.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.035 HD12 HD21 ' A' ' 101' ' ' LEU . 8.8 mm -60.43 95.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.394 1.059 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -52.78 -47.45 67.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.556 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -173.55 135.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.617 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -127.43 115.67 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.612 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.574 HD23 ' C ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -150.55 177.57 9.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.75 ' HB2' HG22 ' A' ' 8' ' ' VAL . 5.5 ttm -128.08 139.42 52.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 111.028 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 98' ' ' VAL . 77.1 t -145.64 141.85 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 47.5 39.09 8.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.36 26.12 72.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.482 ' CG1' ' OE1' ' A' ' 47' ' ' GLN . 2.0 t -128.81 132.77 67.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.491 ' HG3' ' CE ' ' A' ' 94' ' ' MET . 6.2 mt-30 -97.44 118.07 33.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 110.307 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.574 ' HG2' HD21 ' A' ' 102' ' ' LEU . 42.8 tt0 -108.07 104.38 13.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.035 HD21 HD12 ' A' ' 89' ' ' ILE . 2.2 tt -100.17 120.13 39.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.574 HD21 ' HG2' ' A' ' 100' ' ' GLU . 2.5 mt -96.35 120.37 36.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.222 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.811 HD12 HG21 ' A' ' 46' ' ' VAL . 14.8 mt -110.7 130.9 55.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.575 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -119.27 131.31 55.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.862 HD22 ' CZ2' ' A' ' 87' ' ' TRP . 24.7 tp -110.19 123.58 50.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.1 mm? -82.99 145.02 48.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 128.19 11.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.548 1.815 . . . . 0.0 111.032 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -75.26 80.27 2.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -173.84 139.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.398 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.87 153.3 51.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.92 101.67 0.13 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 135.95 19.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -118.67 -159.83 11.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.2 mt -138.29 150.59 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.246 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -168.87 131.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.682 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -147.37 132.5 18.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.366 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -61.44 176.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.2 tpt -169.75 87.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.25 157.72 12.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.8 -135.71 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -170.18 156.44 5.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.78 . . . . 0.0 110.299 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.92 140.72 48.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.226 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.753 HG22 ' HB2' ' A' ' 94' ' ' MET . 14.1 t -46.6 171.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.531 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -99.47 -59.63 0.87 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.02 141.85 9.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.314 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HB2' ' OH ' ' A' ' 79' ' ' TYR . 18.1 Cg_endo -75.01 173.87 13.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.1 Cg_endo -75.07 93.85 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -41.64 -30.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.742 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -150.6 148.33 28.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.594 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 59.5 mt -128.9 147.57 50.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.742 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.0 m0 -131.74 111.65 11.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 107.941 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.6 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 8.0 p -71.43 120.1 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.716 ' CE1' ' O ' ' A' ' 55' ' ' ASP . 2.0 t-80 -116.2 -34.31 4.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.58 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -128.24 161.25 29.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.599 ' O ' HD12 ' A' ' 22' ' ' ILE . 13.2 tt0 -54.94 111.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 71.96 27.96 69.54 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.697 HG21 HD23 ' A' ' 53' ' ' LEU . 2.2 mp -128.25 157.76 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.0 m-85 -154.06 148.06 25.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -104.17 131.68 51.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -80.82 178.84 8.13 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.424 1.078 . . . . 0.0 109.339 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.48 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 14.4 pt-20 -91.73 19.01 6.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.48 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 16.1 m-85 -147.18 38.31 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 57.79 44.2 20.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -120.27 113.79 20.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.2 p -77.8 143.18 38.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.812 ' HB3' HG12 ' A' ' 46' ' ' VAL . 58.5 m95 -126.57 157.68 38.21 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.896 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -124.83 98.46 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.19 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -84.53 111.36 19.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.432 HG11 ' NH2' ' A' ' 45' ' ' ARG . 69.2 t -100.31 98.52 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.645 HG21 ' OE1' ' A' ' 66' ' ' GLN . 7.6 p -67.47 124.12 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -159.46 99.51 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' CB ' ' O ' ' A' ' 41' ' ' PHE . 2.3 pm0 -50.23 156.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.266 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' O ' ' HB ' ' A' ' 39' ' ' THR . 1.3 mm-40 -110.44 61.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.471 ' O ' ' CB ' ' A' ' 40' ' ' SER . 24.8 m 73.8 -6.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 39' ' ' THR . 0.6 OUTLIER 161.57 53.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.046 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.695 ' C ' HD22 ' A' ' 42' ' ' LEU . 3.5 m-85 -159.34 -178.09 6.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.695 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.8 mm? -124.81 84.27 2.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.516 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 7.1 ttp180 -97.8 116.53 30.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.443 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -109.23 87.13 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.452 ' CG ' HD22 ' A' ' 102' ' ' LEU . 6.5 ttm180 -63.82 106.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.812 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.3 t -93.26 110.43 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.529 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.0 OUTLIER -108.61 127.05 53.62 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.475 ' O ' HG13 ' A' ' 98' ' ' VAL . 0.6 OUTLIER -85.44 120.31 26.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.286 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.896 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -154.32 163.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.69 114.07 23.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.411 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 7.7 p -154.71 134.37 7.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.1 Cg_endo -75.03 113.92 3.9 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.768 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.697 HD23 HG21 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -59.19 107.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.74 -110.74 0.01 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.716 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 8.3 t0 -74.02 -177.51 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 0.723 . . . . 0.0 109.338 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 18' ' ' HIS . . . -144.29 54.96 1.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.05 -143.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.504 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 2.6 mtt-85 -136.01 59.49 28.68 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.504 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.1 Cg_endo -75.08 -37.07 2.15 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.502 1.791 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.48 21.4 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.427 ' O ' ' CA ' ' A' ' 65' ' ' SER . 8.8 m-70 -133.37 -47.2 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -49.42 14.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.17 -61.44 1.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.513 HG23 ' OE1' ' A' ' 66' ' ' GLN . 30.5 m -72.48 -65.0 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.36 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.427 ' CA ' ' O ' ' A' ' 61' ' ' HIS . 5.2 p 65.83 40.18 4.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.645 ' OE1' HG21 ' A' ' 35' ' ' VAL . 58.9 mt-30 -126.35 -60.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.586 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.8 mp -67.05 141.87 96.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.652 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -75.05 169.02 23.52 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.513 1.797 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.842 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -74.91 -22.4 58.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.585 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 2.3 ttt -157.75 144.01 17.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.51 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.6 m0 -109.05 155.38 20.99 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -136.7 95.68 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.846 HD13 ' HE1' ' A' ' 79' ' ' TYR . 11.6 tp -46.81 116.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.597 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -102.46 -177.74 0.58 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.05 -176.88 3.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.502 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.2 OUTLIER 70.31 -79.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.539 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 6.7 tt0 167.15 54.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.651 ' HB2' HD21 ' A' ' 86' ' ' LEU . 26.5 mtt85 -153.47 164.6 37.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.846 ' HE1' HD13 ' A' ' 73' ' ' LEU . 2.2 m-30 -111.65 125.62 54.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 111.027 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.597 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -100.77 116.1 31.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 111.032 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -87.02 -173.24 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -106.97 1.91 24.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.8 t-20 -82.53 1.21 39.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.7 OUTLIER 81.68 40.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.531 ' HB3' HD11 ' A' ' 105' ' ' LEU . 13.2 mmt85 -144.26 160.97 40.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.651 HD21 ' HB2' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -126.87 111.18 13.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.735 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 8.4 m95 -86.22 135.45 33.56 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.585 1.178 . . . . 0.0 107.918 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 104' ' ' LYS . 1.8 tt0 -93.76 118.33 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.256 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.099 HD12 HD21 ' A' ' 101' ' ' LEU . 9.6 mm -58.85 90.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -45.77 52.89 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.594 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.48 140.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.585 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.404 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . 71.9 t60 -135.77 113.93 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.576 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.65 -171.37 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.357 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.753 ' HB2' HG22 ' A' ' 8' ' ' VAL . 3.7 ttm -121.57 129.11 52.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' VAL . 39.7 t -132.74 138.76 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 47.41 39.85 9.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.13 26.48 71.53 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.529 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.2 t -133.61 132.84 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -83.89 115.62 22.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.594 ' HG2' HD21 ' A' ' 102' ' ' LEU . 33.1 tt0 -107.53 107.31 18.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.099 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -101.88 121.98 43.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.594 ' CD1' ' CD2' ' A' ' 91' ' ' HIS . 2.9 mt -97.73 122.93 41.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.711 HD12 HG21 ' A' ' 46' ' ' VAL . 16.7 mt -113.9 127.54 56.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.362 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -117.05 127.27 53.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.735 HD22 ' CZ2' ' A' ' 87' ' ' TRP . 21.6 tp -107.1 115.96 31.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mt -95.58 156.51 37.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 154.7 42.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.797 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.54 153.45 50.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 50.9 t0 62.84 91.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.376 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.18 153.28 51.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.23 111.22 3.67 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 160.36 40.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.85 107.23 0.46 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.498 HG23 ' O ' ' A' ' 114' ' ' ILE . 1.6 tp -79.86 110.07 15.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.732 . . . . 0.0 109.233 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.51 87.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.641 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.46 144.88 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.932 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.44 73.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.968 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.4 ptm -146.52 108.74 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.04 157.38 28.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.21 60.49 2.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.103 . . . . 0.0 111.018 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -63.67 157.9 22.86 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 0.743 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.8 153.37 24.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.549 HG12 ' N ' ' A' ' 9' ' ' GLY . 97.2 t -52.17 167.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.549 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -94.06 -60.39 1.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.26 139.42 11.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 109.239 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.497 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.93 174.02 13.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.444 1.76 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.523 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -74.99 96.5 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.568 1.825 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -43.77 -28.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.793 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -152.89 149.49 28.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.589 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.513 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 70.1 mt -129.57 145.82 51.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.793 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.3 m0 -130.44 110.87 11.79 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.771 HG12 HD13 ' A' ' 69' ' ' LEU . 7.2 p -71.9 121.18 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.878 ' CG ' HD12 ' A' ' 53' ' ' LEU . 1.9 t-80 -118.5 -33.3 4.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 109.595 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -124.44 165.32 17.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.29 109.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.1 30.11 65.78 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.436 1.085 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.1 mp -125.51 160.63 31.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 109.263 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.0 m-85 -155.35 142.71 19.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -99.17 132.6 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 23.6 t0 -84.54 178.62 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -89.78 24.63 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.538 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 11.4 m-85 -156.34 48.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.158 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.538 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 3.9 pt20 48.38 42.51 18.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.342 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.8 110.73 18.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.565 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 2.1 p -78.84 140.25 38.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.819 ' HB3' HG12 ' A' ' 46' ' ' VAL . 49.8 m95 -122.68 155.92 35.44 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.962 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -122.95 95.19 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -79.58 105.35 10.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.414 HG23 HG12 ' A' ' 32' ' ' VAL . 75.7 t -93.68 92.06 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 35' ' ' VAL . 7.6 p -60.17 111.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.71 100.6 4.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -68.58 145.82 53.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.249 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.51 153.18 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 39' ' ' THR . 73.4 m 53.28 36.81 23.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.7 p 55.75 38.83 30.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.079 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.401 ' C ' HD22 ' A' ' 42' ' ' LEU . 12.5 m-85 -139.6 174.57 10.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.401 HD22 ' C ' ' A' ' 41' ' ' PHE . 4.2 mm? -115.31 102.88 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 25.2 ttp85 -104.26 117.68 34.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.416 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -108.34 90.44 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.473 ' CG ' HD22 ' A' ' 102' ' ' LEU . 3.6 ttm180 -68.13 107.48 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.819 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.7 t -95.09 111.3 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.4 tt0 -114.3 130.29 56.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.565 ' NE2' ' O ' ' A' ' 30' ' ' THR . 2.2 tm0? -87.77 125.83 34.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.356 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.962 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -148.74 161.85 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.533 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -81.16 110.25 16.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 50' ' ' GLN . 21.3 m -156.43 131.99 5.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -74.99 145.18 31.16 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 111.041 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.878 HD12 ' CG ' ' A' ' 18' ' ' HIS . 1.2 mm? -69.45 117.13 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -132.16 113.29 1.28 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.644 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 4.5 m-20 80.01 137.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.368 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.35 50.9 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.0 -146.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.475 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 62.7 mtt-85 -134.55 60.88 45.54 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 18.4 Cg_endo -74.94 -63.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.469 1.773 . . . . 0.0 110.998 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -84.77 13.77 5.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.992 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -104.84 -30.21 10.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.604 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -114.53 -32.88 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' PRO . 4.5 tt -72.03 -49.42 36.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.387 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.533 HG22 ' H ' ' A' ' 66' ' ' GLN . 1.8 m -77.97 -65.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.406 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 p 70.54 36.74 1.61 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.398 1.061 . . . . 0.0 110.024 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.533 ' H ' HG22 ' A' ' 64' ' ' THR . 45.1 mm-40 -128.77 -65.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.2 mp -65.91 140.34 97.14 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.92 172.45 16.31 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.441 1.758 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.771 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -78.74 -22.34 46.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.563 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -156.43 141.92 17.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.506 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -108.17 158.81 17.11 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -140.7 101.69 4.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 0.0 110.25 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 74' ' ' TYR . 3.7 tp -51.04 121.37 5.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.619 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -109.04 -177.17 0.45 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.582 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.99 -177.73 3.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.567 1.825 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 1.0 OUTLIER 70.56 -77.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 76' ' ' GLU . 6.5 pt-20 164.65 50.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.611 ' HB2' HD21 ' A' ' 86' ' ' LEU . 7.3 mtp180 -147.86 161.25 41.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.646 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.3 m-30 -107.89 125.81 51.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.573 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -100.52 115.26 29.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' A' ' 81' ' ' ASP . 33.8 p30 -82.78 -174.79 5.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -107.91 -3.06 19.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 84' ' ' SER . 36.7 t30 -80.08 -3.01 46.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 88.3 39.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.059 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.713 ' HD3' HD21 ' A' ' 105' ' ' LEU . 1.4 mtp180 -142.68 151.85 41.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.107 . . . . 0.0 110.283 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -119.78 115.1 23.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.688 ' CE2' HD22 ' A' ' 105' ' ' LEU . 8.6 m95 -90.55 137.98 31.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 108.063 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 90' ' ' GLN . 4.6 tt0 -94.19 118.87 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.064 HD12 HD21 ' A' ' 101' ' ' LEU . 10.3 mm -57.33 89.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.4 OUTLIER -48.95 -46.96 44.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.589 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -173.18 139.65 0.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.649 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.497 ' NE2' ' HB3' ' A' ' 11' ' ' PRO . 77.0 t60 -135.62 112.28 10.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.616 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.538 HD13 HG23 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -153.93 -172.44 4.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.513 ' HB2' HG22 ' A' ' 8' ' ' VAL . 2.3 ttm -110.44 124.16 51.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.538 HG23 HD13 ' A' ' 93' ' ' LEU . 14.9 t -125.62 129.5 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 48.28 37.34 8.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.245 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 68.37 24.63 74.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.2 t -133.22 108.84 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.439 0.729 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.634 ' HG3' ' CH2' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -61.15 112.82 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.511 ' HG2' HD21 ' A' ' 102' ' ' LEU . 31.1 tt0 -105.83 117.61 34.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.064 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -107.27 122.96 47.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.365 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.589 ' CD1' ' CD2' ' A' ' 91' ' ' HIS . 3.0 mt -99.71 122.5 42.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.6 HD12 HG21 ' A' ' 46' ' ' VAL . 21.4 mt -111.83 130.46 55.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.34 119.14 32.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.713 HD21 ' HD3' ' A' ' 85' ' ' ARG . 13.2 tp -95.57 118.89 33.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.52 159.79 29.63 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.606 1.191 . . . . 0.0 109.312 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 123.56 8.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -40.14 109.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.55 139.37 35.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.82 152.31 50.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.2 t 64.96 127.05 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 115.58 4.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.444 1.76 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 114' ' ' ILE . . . -138.31 -61.43 0.05 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 113' ' ' GLY . 0.6 OUTLIER 38.95 75.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 109.32 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -75.82 107.28 7.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.608 1.192 . . . . 0.0 109.547 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -65.16 151.2 46.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.946 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 3' ' ' MET . 44.5 t -121.72 -41.25 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.985 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.465 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 78.43 82.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.943 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 162.22 10.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.66 -132.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 7' ' ' ASP . 2.1 tp10 -159.23 138.5 11.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.269 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 26.5 m-20 -87.85 167.48 13.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 94' ' ' MET . 34.5 t -42.32 162.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.43 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -81.33 -66.25 1.62 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.32 141.27 8.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.783 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.6 Cg_endo -74.91 94.69 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 3.4 t70 -42.82 -28.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.787 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.24 149.38 29.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.492 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 63.5 mt -130.36 147.1 52.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.787 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.0 m0 -131.55 110.61 11.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.602 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.9 p -70.17 118.64 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.287 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.498 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 1.4 t60 -113.89 -32.06 6.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.03 156.21 44.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.431 ' HA ' ' HB3' ' A' ' 60' ' ' SER . 9.6 tt0 -54.24 110.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 76.03 29.32 59.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.127 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.1 mp -136.41 154.37 32.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.602 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.4 m-85 -148.05 151.52 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.81 133.81 49.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.1 -176.72 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -96.87 17.08 17.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -142.86 30.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 65.44 43.65 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.71 ' HB3' HE22 ' A' ' 48' ' ' GLN . 3.0 mtt-85 -119.63 115.84 24.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.1 p -78.04 146.19 35.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 110.334 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.829 ' HB3' HG12 ' A' ' 46' ' ' VAL . 59.2 m95 -128.94 157.47 41.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 107.996 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.915 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -122.47 96.67 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -82.22 111.18 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.699 HG11 ' NH2' ' A' ' 45' ' ' ARG . 65.1 t -100.24 85.27 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 35' ' ' VAL . 11.9 p -52.8 108.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -116.38 88.98 3.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -48.02 120.54 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -80.29 162.67 24.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.7 m -49.44 -36.15 21.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.42 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.78 39.49 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.187 . . . . 0.0 109.99 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.408 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.1 m-85 -163.86 -172.49 2.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 41' ' ' PHE . 13.0 mt -126.38 128.53 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 11.6 ttp85 -130.3 125.7 35.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.01 88.11 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.699 ' NH2' HG11 ' A' ' 34' ' ' VAL . 6.1 ttm180 -66.81 108.2 2.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.281 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.829 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -95.54 111.15 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.523 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.1 tt0 -108.02 128.01 54.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.71 HE22 ' HB3' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -86.67 121.98 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.366 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.915 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -155.49 161.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -89.22 105.86 18.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 19.4 m -143.59 142.21 20.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.98 131.01 13.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.453 HD22 ' CG ' ' A' ' 18' ' ' HIS . 2.3 mt -75.86 113.29 13.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.94 -108.24 0.18 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.498 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 0.6 OUTLIER -65.53 -175.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.259 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -160.01 64.45 0.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.06 -141.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.528 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 2.8 mtt180 -136.62 58.14 18.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -74.92 -42.69 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.783 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.431 ' HB3' ' HA ' ' A' ' 20' ' ' GLU . 9.9 p -65.17 -40.89 94.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.593 ' CE1' HG11 ' A' ' 17' ' ' VAL . 0.7 OUTLIER -70.91 -30.59 66.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 tt -80.85 -38.59 27.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.86 -69.43 0.6 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.51 HG21 HG21 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -72.67 -59.46 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.407 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 5.1 p 65.07 52.96 1.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -133.35 -56.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.9 mp -66.06 142.53 98.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.0 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.669 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -85.92 -4.92 59.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.709 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 3.6 ttp -173.76 139.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.46 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.8 m0 -108.36 155.55 20.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 108.057 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -137.71 98.07 3.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.777 HD13 ' HE1' ' A' ' 79' ' ' TYR . 11.8 tp -49.36 112.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.74 -177.45 0.61 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.91 169.56 22.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER 82.92 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.6 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 1.1 tt0 164.48 56.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -152.67 165.67 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.777 ' HE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-30 -114.56 126.64 55.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.559 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 1.3 ttt -99.56 121.73 41.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.486 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 26.2 p-10 -74.66 -168.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -117.11 -1.04 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.633 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.0 t-20 -81.39 -50.95 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 3.5 t 146.91 41.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.913 ' HB3' HD11 ' A' ' 105' ' ' LEU . 7.5 mtm-85 -148.08 160.17 43.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 79' ' ' TYR . 1.5 tt -124.14 118.63 27.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.372 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.97 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.2 m95 -91.18 137.9 32.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 108.052 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.8 tt0 -95.12 125.88 40.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.06 HD12 HD21 ' A' ' 101' ' ' LEU . 5.6 mm -65.05 92.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -45.6 70.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.586 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.99 141.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.657 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.402 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . 70.9 t60 -137.72 114.13 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.4 -170.76 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.503 ' HB2' HG22 ' A' ' 8' ' ' VAL . 4.2 ttm -130.12 130.48 44.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.5 t -135.28 140.3 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 47.53 39.78 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.32 26.11 71.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.523 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.2 t -129.94 133.82 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -91.18 114.68 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.617 ' HG2' HD21 ' A' ' 102' ' ' LEU . 31.2 tt0 -105.69 106.56 17.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.06 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -102.14 122.41 44.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.617 HD21 ' HG2' ' A' ' 100' ' ' GLU . 2.9 mt -98.74 124.46 43.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.736 HD12 HG21 ' A' ' 46' ' ' VAL . 10.0 mt -113.75 130.63 56.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.0 tppt? -119.72 124.68 46.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.97 HD13 ' CD1' ' A' ' 87' ' ' TRP . 47.2 tp -102.53 136.1 42.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.14 160.18 61.09 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 108' ' ' ASP . 18.4 Cg_endo -74.94 73.72 4.2 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 107' ' ' PRO . 21.9 t0 40.12 90.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.0 OUTLIER -38.89 119.52 0.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 109' ' ' ASP . 1.7 mtt-85 -35.11 129.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.1 131.1 59.64 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 141.46 26.54 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -131.87 136.43 8.77 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 114' ' ' ILE . 1.2 tt -60.96 99.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.335 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -88.62 113.04 23.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.614 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.88 99.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.242 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.576 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.03 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.783 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.6 Cg_endo -74.91 94.69 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 3.4 t70 -42.82 -28.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.787 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.24 149.38 29.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.492 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 63.5 mt -130.36 147.1 52.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.787 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.0 m0 -131.55 110.61 11.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.602 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.9 p -70.17 118.64 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.287 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.4 t60 -113.89 -32.06 6.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.03 156.21 44.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -54.24 110.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 76.03 29.32 59.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.127 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.1 mp -136.41 154.37 32.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.602 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.4 m-85 -148.05 151.52 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.81 133.81 49.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.1 -176.72 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -96.87 17.08 17.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -142.86 30.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 65.44 43.65 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.449 ' HG2' ' NE2' ' A' ' 48' ' ' GLN . 3.0 mtt-85 -119.63 115.84 24.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 12.1 p -78.04 146.19 35.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 110.334 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.829 ' HB3' HG12 ' A' ' 46' ' ' VAL . 59.2 m95 -128.94 157.47 41.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 107.996 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.915 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -122.47 96.67 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -82.22 111.18 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.699 HG11 ' NH2' ' A' ' 45' ' ' ARG . 65.1 t -100.24 85.27 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 35' ' ' VAL . 11.9 p -52.8 108.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.408 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.1 m-85 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.5 0.19 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 41' ' ' PHE . 13.0 mt -126.38 128.53 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 11.6 ttp85 -130.3 125.7 35.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.01 88.11 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.699 ' NH2' HG11 ' A' ' 34' ' ' VAL . 6.1 ttm180 -66.81 108.2 2.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.281 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.829 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -95.54 111.15 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.523 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.1 tt0 -108.02 128.01 54.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.493 ' OE1' ' CE2' ' A' ' 31' ' ' TRP . 12.1 tp60 -86.67 121.98 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.366 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.915 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -155.49 161.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -89.22 105.86 18.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.921 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -133.35 -56.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.579 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.9 mp -66.06 142.53 98.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.0 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.669 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -85.92 -4.92 59.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.709 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 3.6 ttp -173.76 139.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.46 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.8 m0 -108.36 155.55 20.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 108.057 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -137.71 98.07 3.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.777 HD13 ' HE1' ' A' ' 79' ' ' TYR . 11.8 tp -49.36 112.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.74 -177.45 0.61 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.91 169.56 22.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER 82.92 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.6 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 1.1 tt0 164.48 56.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -152.67 165.67 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.777 ' HE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-30 -114.56 126.64 55.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.559 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 1.3 ttt -99.56 121.73 41.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.486 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 26.2 p-10 -74.66 -168.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -117.11 -1.04 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.633 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.0 t-20 -81.39 -50.95 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 3.5 t 146.91 41.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.913 ' HB3' HD11 ' A' ' 105' ' ' LEU . 7.5 mtm-85 -148.08 160.17 43.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 79' ' ' TYR . 1.5 tt -124.14 118.63 27.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.372 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.97 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.2 m95 -91.18 137.9 32.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 108.052 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.8 tt0 -95.12 125.88 40.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.06 HD12 HD21 ' A' ' 101' ' ' LEU . 5.6 mm -65.05 92.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -45.6 70.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.6 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -171.99 141.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.657 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 22.6 t-80 -137.72 114.13 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.4 -170.76 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.2 ttm -130.12 130.48 44.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.5 t -135.28 140.3 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 47.53 39.78 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.32 26.11 71.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.523 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.2 t -129.94 133.82 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -91.18 114.68 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.617 ' HG2' HD21 ' A' ' 102' ' ' LEU . 31.2 tt0 -105.69 106.56 17.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.06 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -102.14 122.41 44.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.617 HD21 ' HG2' ' A' ' 100' ' ' GLU . 2.9 mt -98.74 124.46 43.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.736 HD12 HG21 ' A' ' 46' ' ' VAL . 10.0 mt -113.75 130.63 56.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.0 tppt? -119.72 124.68 46.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.97 HD13 ' CD1' ' A' ' 87' ' ' TRP . 47.2 tp -102.53 136.1 42.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.544 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.04 174.54 12.61 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.511 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -74.99 89.76 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.495 1.787 . . . . 0.0 110.942 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.445 ' HA ' ' CB ' ' A' ' 73' ' ' LEU . 35.2 t70 -41.87 -29.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.727 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -147.98 149.61 32.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.558 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.468 HD22 ' HB3' ' A' ' 23' ' ' TYR . 58.6 mt -130.99 148.11 52.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.727 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -132.72 115.14 14.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.6 1.188 . . . . 0.0 108.023 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.843 HG12 HD13 ' A' ' 69' ' ' LEU . 8.2 p -74.13 121.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.343 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.445 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.8 t-160 -117.02 -36.29 3.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 109.618 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -128.48 161.5 29.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.663 ' O ' HD12 ' A' ' 22' ' ' ILE . 23.3 mt-10 -50.7 113.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 66.06 21.88 70.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.663 HD12 ' O ' ' A' ' 20' ' ' GLU . 1.2 mp -119.63 140.41 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.318 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.583 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.3 m-85 -136.3 152.26 50.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -110.16 132.77 53.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.377 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 26' ' ' GLU . 12.7 t0 -80.55 -176.88 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.491 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 6.1 pt-20 -95.84 19.14 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.258 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -146.43 31.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.396 1.06 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 65.84 41.7 3.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.45 116.05 26.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.49 ' N ' HE22 ' A' ' 48' ' ' GLN . 13.6 p -79.4 145.33 33.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.891 ' HB3' HG12 ' A' ' 46' ' ' VAL . 62.5 m95 -130.67 145.18 51.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 108.017 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.971 ' CG2' HD11 ' A' ' 49' ' ' ILE . 24.4 t -112.67 91.28 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -73.97 105.25 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 34' ' ' VAL . 62.8 t -91.16 76.49 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 p -44.49 111.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.531 ' CE1' HD12 ' A' ' 106' ' ' LEU . 10.5 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.445 0.164 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 41' ' ' PHE . 2.4 mp -114.14 141.87 46.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.476 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 8.6 ttp180 -151.62 117.07 5.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.84 95.77 5.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.419 ' HD3' ' OE2' ' A' ' 100' ' ' GLU . 2.6 ttm180 -70.14 106.17 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.891 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -93.54 104.16 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.61 ' O ' HD13 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -105.04 133.1 50.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.347 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.49 HE22 ' N ' ' A' ' 30' ' ' THR . 24.3 tp60 -87.97 122.88 32.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.971 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -147.47 165.16 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.91 77.9 7.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -129.19 -62.58 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.4 mp -69.23 142.08 92.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.688 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.5 Cg_endo -74.95 166.39 29.33 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.811 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.843 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.63 -20.63 60.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.594 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 2.9 ttp -159.3 141.03 13.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.488 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -106.54 158.14 17.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 107.974 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -139.6 101.84 4.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.091 . . . . 0.0 110.26 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.628 HD12 ' N ' ' A' ' 74' ' ' TYR . 4.3 tp -48.37 122.34 5.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.628 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -122.79 174.76 3.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.577 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.03 166.45 29.14 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER 80.87 12.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 63.35 53.33 2.2 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.556 ' HB2' HD21 ' A' ' 86' ' ' LEU . 21.9 mtp180 -148.79 155.81 41.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.798 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.4 m-30 -106.32 126.22 51.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.588 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -99.24 117.59 34.04 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.515 1.134 . . . . 0.0 111.042 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.439 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 30.1 p30 -85.52 -172.11 3.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -110.94 -1.84 16.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 84' ' ' SER . 22.3 t30 -80.04 -4.16 51.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.8 OUTLIER 90.2 36.42 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.834 ' HB3' HD11 ' A' ' 105' ' ' LEU . 1.2 mtt85 -144.61 147.9 33.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.369 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 79' ' ' TYR . 1.6 tt -114.98 119.9 38.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.841 ' CD1' HD13 ' A' ' 105' ' ' LEU . 7.6 m95 -91.41 142.53 27.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' LYS . 4.5 tt0 -97.36 124.36 41.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.06 HD12 HD21 ' A' ' 101' ' ' LEU . 20.6 mm -62.74 87.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -48.58 -47.05 39.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.595 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -172.72 144.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.641 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.585 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 26.2 t-80 -139.94 110.92 6.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.596 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.517 HD21 ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -143.18 -169.51 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.466 ' HE2' ' C ' ' A' ' 97' ' ' GLY . 4.3 ttm -135.99 132.27 36.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 98' ' ' VAL . 60.2 t -139.35 138.42 40.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 48.38 40.62 15.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.263 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.466 ' C ' ' HE2' ' A' ' 94' ' ' MET . . . 65.73 16.64 63.85 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.552 1.157 . . . . 0.0 111.038 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.476 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.1 t -117.64 134.74 60.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.406 0.709 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -96.94 119.11 34.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.261 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.587 ' HG2' HD21 ' A' ' 102' ' ' LEU . 29.5 tt0 -109.74 105.18 14.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 110.372 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.06 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -101.46 123.79 46.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.593 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 3.0 mt -98.08 125.54 43.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.769 HD12 HG21 ' A' ' 46' ' ' VAL . 19.8 mt -117.37 124.33 48.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -113.04 128.17 56.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.841 HD13 ' CD1' ' A' ' 87' ' ' TRP . 37.8 tp -107.24 120.11 41.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.531 HD12 ' CE1' ' A' ' 41' ' ' PHE . 3.0 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.56 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.06 173.9 13.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.507 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.5 Cg_endo -74.94 93.84 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -44.92 -26.49 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.796 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.88 148.03 27.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.58 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 68.6 mt -129.96 145.74 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.361 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.796 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -131.01 111.84 12.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.675 HG12 HD13 ' A' ' 69' ' ' LEU . 9.4 p -71.68 119.16 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.424 ' CD2' ' C ' ' A' ' 18' ' ' HIS . 2.0 t60 -113.54 -29.44 7.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.604 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -135.65 158.93 43.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -52.4 111.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.59 21.57 79.48 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 1.1 mp -125.11 140.28 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.583 0.814 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.598 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.1 m-85 -137.25 153.0 50.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.946 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -109.16 132.2 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -80.94 -177.39 6.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 7.6 pt-20 -95.62 24.96 4.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.262 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -150.72 26.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 70.09 41.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.28 115.09 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.435 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 1.6 p -82.22 134.05 35.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 0.0 110.393 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.834 ' HB3' HG12 ' A' ' 46' ' ' VAL . 49.2 m95 -115.55 154.47 29.32 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.842 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.3 t -116.82 93.86 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -79.1 110.77 14.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.412 HG11 ' NH2' ' A' ' 45' ' ' ARG . 73.2 t -99.7 81.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.1 p -47.11 109.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.656 ' C ' HD22 ' A' ' 42' ' ' LEU . 12.0 m-85 . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.435 0.16 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.656 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.7 mm? -121.92 97.89 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 19.3 ttp180 -104.76 125.08 50.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.63 92.54 3.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.412 ' NH2' HG11 ' A' ' 34' ' ' VAL . 5.0 ttm180 -67.99 109.34 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.834 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.5 t -98.16 111.95 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.379 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.633 ' HG2' HD12 ' A' ' 49' ' ' ILE . 2.4 tt0 -108.26 130.38 55.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 30' ' ' THR . 6.3 tp-100 -87.11 124.79 33.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.842 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -153.05 161.44 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -93.18 94.0 8.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.278 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -117.43 -60.28 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.243 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.8 mp -66.01 141.49 97.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.643 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -74.94 171.33 18.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.073 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.675 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -77.39 -17.6 58.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.493 ' HG2' ' N ' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -162.01 145.74 12.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.493 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.6 m0 -111.53 154.44 24.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' MET . 3.2 tp60 -134.12 96.19 3.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.907 HD13 ' CE1' ' A' ' 79' ' ' TYR . 12.2 tp -47.88 116.21 1.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.574 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -99.96 -179.16 0.78 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.6 Cg_endo -74.92 171.86 17.46 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 1.8 tm-20 77.51 -76.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.423 ' HB3' ' O ' ' A' ' 76' ' ' GLU . 9.4 pt-20 167.72 56.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.644 ' HD2' HD11 ' A' ' 86' ' ' LEU . 2.2 mtt180 -149.61 163.56 37.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.576 1.172 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.907 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-85 -117.2 120.57 38.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.574 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -95.9 124.29 39.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.444 ' OD1' ' CD1' ' A' ' 87' ' ' TRP . 2.3 p30 -92.91 176.9 6.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.374 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -100.26 -1.55 36.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 84' ' ' SER . 10.1 t-20 -78.34 -1.59 34.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.5 OUTLIER 85.62 41.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.054 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.769 ' HD3' HD21 ' A' ' 105' ' ' LEU . 42.0 mtt-85 -145.55 156.91 44.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.644 HD11 ' HD2' ' A' ' 78' ' ' ARG . 2.0 tm? -121.49 116.62 25.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.711 ' CE2' HD22 ' A' ' 105' ' ' LEU . 8.1 m95 -94.84 140.91 29.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 107.954 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.7 tt0 -101.27 124.61 47.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.006 HD12 HD21 ' A' ' 101' ' ' LEU . 16.4 mm -62.59 94.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -51.65 -48.61 63.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.232 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.649 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -174.01 130.5 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.633 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 26.1 t-80 -121.36 112.06 18.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.583 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.6 HD22 ' CD2' ' A' ' 91' ' ' HIS . 0.5 OUTLIER -145.13 177.21 8.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.419 ' HE3' ' HG3' ' A' ' 99' ' ' GLN . 3.2 ttm -125.35 130.32 51.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.6 t -134.46 140.3 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 48.05 38.43 9.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.11 23.9 73.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.584 1.177 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 95' ' ' VAL . 2.1 t -126.45 129.66 71.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.419 ' HG3' ' HE3' ' A' ' 94' ' ' MET . 38.1 mt-30 -89.53 116.06 27.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.578 ' HG2' HD21 ' A' ' 102' ' ' LEU . 27.1 tt0 -106.93 103.68 13.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.006 HD21 HD12 ' A' ' 89' ' ' ILE . 2.2 tt -99.26 121.06 40.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.649 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.6 mt -97.41 120.19 37.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.685 HD12 HG21 ' A' ' 46' ' ' VAL . 17.0 mt -109.97 131.26 55.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.082 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.2 OUTLIER -120.76 130.17 53.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.769 HD21 ' HD3' ' A' ' 85' ' ' ARG . 20.8 tp -107.65 121.89 45.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.654 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.91 173.56 14.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.422 1.749 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.526 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.2 Cg_endo -74.96 95.22 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.544 1.813 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -42.57 -28.11 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.793 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -153.2 146.58 24.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.654 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 58.6 mt -127.52 145.34 50.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.793 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.1 m0 -130.08 112.34 13.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 108.042 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.606 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.9 p -72.14 118.5 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.461 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.7 t-160 -115.43 -32.9 5.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.637 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.463 ' HB2' ' CG2' ' A' ' 22' ' ' ILE . 1.8 mt-30 -128.72 159.76 34.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.225 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.52 109.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 73.26 17.36 78.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.477 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -119.99 140.53 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.406 0.709 . . . . 0.0 109.266 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.9 m-85 -135.84 153.72 51.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -108.7 134.45 51.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.428 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 24.5 t0 -87.29 -179.03 6.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -91.68 20.71 5.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.546 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 6.4 m-85 -148.59 45.15 1.03 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 7.4 pt20 48.14 45.79 19.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HB2' ' HB3' ' A' ' 25' ' ' ASP . 0.3 OUTLIER -124.51 113.63 18.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.7 p -74.18 151.15 40.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.808 ' HB3' HG12 ' A' ' 46' ' ' VAL . 51.4 m95 -132.13 144.93 51.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 108.008 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.861 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.3 t -109.29 93.51 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.357 1.036 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -81.91 92.54 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.599 HG23 HG12 ' A' ' 32' ' ' VAL . 73.1 t -82.34 92.29 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 35' ' ' VAL . 11.0 p -53.72 109.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.234 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.624 ' O ' HD12 ' A' ' 42' ' ' LEU . 28.9 m-85 . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.559 0.219 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 41' ' ' PHE . 3.5 mp -118.63 141.86 48.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 44' ' ' ALA . 12.5 ttp180 -151.55 147.45 26.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.477 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -139.81 103.52 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -74.26 107.19 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.808 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -92.93 109.33 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.738 ' HG2' HD12 ' A' ' 49' ' ' ILE . 1.2 tt0 -111.93 130.25 55.9 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.501 ' O ' HG13 ' A' ' 98' ' ' VAL . 0.8 OUTLIER -87.3 121.32 29.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.861 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -146.66 163.22 8.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -86.09 101.37 12.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.3 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -120.2 -55.44 2.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.0 mp -71.72 145.3 89.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.649 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -74.92 172.21 16.79 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.449 1.762 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.514 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -80.06 -10.4 59.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.556 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 3.6 tmm? -170.32 143.35 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.477 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.7 m0 -109.55 155.38 21.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 107.994 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -137.03 106.36 6.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.392 1.057 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 74' ' ' TYR . 1.9 tp -55.41 112.8 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.368 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.605 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -101.68 -176.91 0.5 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.572 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.01 -175.53 2.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 5.9 mm-40 68.16 -77.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.591 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 2.5 tt0 163.2 60.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.475 ' HB2' HD21 ' A' ' 86' ' ' LEU . 27.2 mtm-85 -157.11 161.76 39.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.811 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.3 m-30 -107.58 121.5 44.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.605 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -96.92 115.95 28.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.489 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 17.7 p-10 -80.71 -170.3 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.92 -5.89 13.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.56 ' O ' ' CB ' ' A' ' 84' ' ' SER . 6.1 t-20 -79.12 -3.58 46.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.442 1.089 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.9 OUTLIER 90.24 37.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.069 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.595 ' HB3' HD11 ' A' ' 105' ' ' LEU . 9.3 mmt180 -136.22 155.57 49.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.232 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 78' ' ' ARG . 0.5 OUTLIER -124.57 115.45 20.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.649 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 7.9 m95 -94.05 134.44 36.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 108.029 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.4 tt0 -93.57 117.15 29.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.041 HD12 HD21 ' A' ' 101' ' ' LEU . 20.3 mm -54.27 90.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -50.19 -46.35 54.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.628 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.59 139.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.565 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.654 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 25.3 t-80 -135.79 112.2 9.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.568 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.51 -174.14 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.444 ' HE3' ' HG3' ' A' ' 99' ' ' GLN . 0.9 OUTLIER -106.02 125.68 51.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 98' ' ' VAL . 5.0 t -122.47 124.28 70.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 49.04 34.78 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 75.36 21.01 78.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.565 1.166 . . . . 0.0 110.952 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.1 t -126.01 128.01 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.474 ' NE2' ' OE1' ' A' ' 48' ' ' GLN . 3.0 mp0 -73.34 107.52 5.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.252 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.61 ' HG2' HD21 ' A' ' 102' ' ' LEU . 33.6 tt0 -103.96 108.93 20.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.041 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -105.2 122.09 45.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.628 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.6 mt -98.98 120.3 39.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.758 HD12 HG21 ' A' ' 46' ' ' VAL . 14.3 mt -108.7 129.02 55.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 88' ' ' GLN . 1.1 tmmm? -117.34 123.67 47.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.637 HD22 ' CE2' ' A' ' 87' ' ' TRP . 22.2 tp -101.13 126.44 47.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.245 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.04 174.39 12.87 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.444 1.76 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.468 ' HG3' ' CZ2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -75.04 93.06 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.415 ' HB3' ' OE2' ' A' ' 26' ' ' GLU . 28.2 t70 -41.28 -28.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.82 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -153.03 151.27 30.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 63.2 mt -130.5 146.02 51.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.82 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -130.27 112.46 13.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.025 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.602 ' CG1' HD22 ' A' ' 69' ' ' LEU . 8.5 p -71.16 121.07 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.446 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.8 t60 -114.88 -32.99 5.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.47 160.34 37.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' O ' HD12 ' A' ' 22' ' ' ILE . 11.1 tt0 -52.08 110.2 0.46 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.26 23.0 78.64 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.601 1.188 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp -126.09 136.11 61.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 0.805 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.5 m-85 -133.56 154.08 51.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.95 134.12 52.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.468 ' CB ' ' HB2' ' A' ' 29' ' ' ARG . 22.5 t0 -82.76 -177.16 6.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.481 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 5.6 pt-20 -96.67 18.12 14.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -140.46 25.3 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 67.79 44.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 47.0 mtt180 -121.83 115.37 22.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.608 1.192 . . . . 0.0 110.265 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.3 p -76.21 146.2 39.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.836 ' HB3' HG12 ' A' ' 46' ' ' VAL . 58.0 m95 -127.55 155.25 44.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.935 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -120.18 87.89 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -73.67 104.88 4.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.47 HG23 HG12 ' A' ' 32' ' ' VAL . 73.1 t -95.74 81.05 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 p -43.89 107.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 43' ' ' ARG . 9.9 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.87 ' C ' HD22 ' A' ' 42' ' ' LEU . 9.6 m-85 . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.546 0.212 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.87 HD22 ' C ' ' A' ' 41' ' ' PHE . 2.5 mm? -126.63 93.66 3.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.112 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 1.4 ttp180 -103.77 134.66 46.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.44 109.44 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -80.58 106.25 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.258 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.836 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -93.53 105.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.284 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.648 ' OE1' ' CG1' ' A' ' 98' ' ' VAL . 0.1 OUTLIER -105.08 129.85 53.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.15 . . . . 0.0 110.263 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -90.07 120.07 30.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.935 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -148.34 164.53 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.434 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -87.93 102.48 14.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -125.54 -59.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.232 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 67' ' ' LEU . 4.2 mp -65.68 142.12 98.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.609 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.99 169.52 22.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 110.992 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.602 HD22 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -77.71 -8.98 58.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.609 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -170.69 142.91 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.505 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -109.51 155.22 21.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 108.041 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -137.17 99.59 4.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.868 HD13 ' CE1' ' A' ' 79' ' ' TYR . 10.8 tp -51.11 112.68 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.585 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.82 -178.87 0.77 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.584 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -75.04 174.86 12.07 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.477 1.777 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.1 OUTLIER 78.69 -81.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.266 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.61 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 44.2 tt0 169.71 55.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.505 ' CD ' ' C ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -155.12 162.98 40.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.868 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-85 -110.86 124.42 52.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.585 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -99.35 120.31 39.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.483 ' OD2' ' C ' ' A' ' 81' ' ' ASP . 42.4 p30 -85.67 -174.16 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.98 0.53 20.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.572 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.6 t-20 -80.11 -4.18 51.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 1.6 t 91.12 36.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.961 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.956 ' HB3' HD11 ' A' ' 105' ' ' LEU . 21.6 mmt-85 -142.67 163.55 32.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' A' ' 78' ' ' ARG . 1.5 tt -126.14 121.53 33.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 1.009 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.0 m95 -96.53 137.58 35.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' A' ' 104' ' ' LYS . 5.0 tt0 -97.51 126.17 42.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.031 HD12 HD21 ' A' ' 101' ' ' LEU . 19.7 mm -63.45 94.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -54.45 -45.35 73.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.216 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.667 ' CD2' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -173.03 135.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.547 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 21.6 t-80 -131.42 116.23 17.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.611 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.667 HD22 ' CD2' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -153.02 -179.22 7.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.215 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.402 ' CE ' ' HG3' ' A' ' 99' ' ' GLN . 4.6 ttm -128.81 132.57 47.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.2 t -136.72 138.88 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 48.94 37.78 10.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 68.91 20.71 74.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.648 ' CG1' ' OE1' ' A' ' 47' ' ' GLN . 2.0 t -122.35 130.83 74.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.402 ' HG3' ' CE ' ' A' ' 94' ' ' MET . 21.9 mt-30 -94.15 116.06 28.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.606 ' HG2' HD21 ' A' ' 102' ' ' LEU . 17.6 tt0 -107.94 104.02 13.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.031 HD21 HD12 ' A' ' 89' ' ' ILE . 1.9 tt -99.7 123.12 43.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.606 HD21 ' HG2' ' A' ' 100' ' ' GLU . 3.1 mt -98.23 121.36 40.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.666 HD12 HG21 ' A' ' 46' ' ' VAL . 18.0 mt -112.0 129.36 56.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.562 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -119.58 129.59 54.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 1.009 HD13 ' CD1' ' A' ' 87' ' ' TRP . 45.0 tp -108.32 123.96 49.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.235 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.586 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.93 173.55 14.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.3 Cg_endo -74.97 94.16 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 110.982 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -41.78 -28.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.753 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.87 148.31 27.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 57.5 mt -128.29 147.14 50.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.753 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.1 m0 -130.53 111.77 12.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 108.008 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.801 HG12 HD13 ' A' ' 69' ' ' LEU . 8.2 p -67.39 122.6 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -114.35 -33.01 5.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 109.595 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.68 ' HB3' HD13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -138.68 158.34 44.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.738 ' O ' HD12 ' A' ' 22' ' ' ILE . 6.0 pt-20 -51.1 108.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 77.76 23.73 66.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 20' ' ' GLU . 4.4 mp -130.21 139.22 51.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.44 0.729 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.526 ' OH ' ' HB3' ' A' ' 67' ' ' LEU . 13.9 m-85 -137.04 153.25 50.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.038 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -108.91 134.95 50.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' ARG . 28.8 t0 -80.87 180.0 7.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.598 1.186 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 16.2 pt-20 -95.73 14.4 23.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -140.18 29.94 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 66.69 47.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.586 1.178 . . . . 0.0 110.287 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 25' ' ' ASP . 2.7 mtt180 -125.46 117.43 23.65 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.437 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 19.1 p -79.01 148.04 32.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.846 ' HB3' HG12 ' A' ' 46' ' ' VAL . 63.0 m95 -133.41 148.56 51.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.85 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.4 t -114.78 92.89 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.211 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -77.24 111.81 13.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.7 t -103.07 97.12 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.249 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.27 115.37 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 110.327 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.596 ' C ' HD22 ' A' ' 42' ' ' LEU . 19.7 m-85 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.465 0.174 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.596 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.7 mm? -120.67 88.2 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 11.0 ttm180 -96.72 121.68 38.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.229 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.415 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -110.14 82.42 1.59 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.515 ' CG ' HD22 ' A' ' 102' ' ' LEU . 3.0 ttm-85 -58.96 110.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.846 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.1 t -99.0 109.58 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.508 ' HG3' ' CG1' ' A' ' 98' ' ' VAL . 3.3 tt0 -106.77 134.34 50.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.501 ' O ' HG13 ' A' ' 98' ' ' VAL . 30.9 tp60 -88.29 126.83 35.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.85 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -154.06 177.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -109.25 107.12 17.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -127.84 -61.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.352 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.7 mp -67.08 142.97 97.55 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.655 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.0 Cg_endo -75.08 162.09 37.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.54 1.811 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.801 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -69.65 -19.19 63.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.609 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 6.2 ttp -161.08 143.26 12.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.5 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.7 m0 -108.94 154.5 22.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -137.74 93.33 2.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 110.327 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.656 HD12 ' N ' ' A' ' 74' ' ' TYR . 4.2 tp -40.99 124.49 2.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.656 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -120.79 -178.53 0.6 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.561 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.01 166.11 29.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 78.37 6.88 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.364 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 70.92 49.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.672 ' CZ ' HD13 ' A' ' 86' ' ' LEU . 38.9 mtp180 -140.16 160.19 40.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.682 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.5 m-30 -112.03 121.66 45.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.569 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -97.06 117.0 30.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.489 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 34.3 p30 -71.04 -172.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -114.04 0.51 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.636 ' O ' ' CB ' ' A' ' 84' ' ' SER . 6.2 t-20 -82.02 -51.03 8.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 2.8 m 146.91 39.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.909 ' HB3' HD11 ' A' ' 105' ' ' LEU . 20.3 mtt180 -144.87 161.53 39.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.345 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.672 HD13 ' CZ ' ' A' ' 78' ' ' ARG . 1.1 tt -127.33 115.75 19.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.922 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.2 m95 -90.14 136.95 32.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 104' ' ' LYS . 4.2 tt0 -95.65 121.6 37.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.032 HD12 HD21 ' A' ' 101' ' ' LEU . 7.6 mm -60.66 92.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -44.38 66.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.075 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.623 ' CE1' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.38 143.15 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.616 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 24.7 t-80 -139.88 115.71 10.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.623 1.202 . . . . 0.0 109.601 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.695 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -157.89 -171.36 3.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.673 ' HE2' ' C ' ' A' ' 97' ' ' GLY . 2.9 ttm -117.09 124.76 50.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.3 t -124.24 132.36 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER 49.02 38.61 12.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.673 ' C ' ' HE2' ' A' ' 94' ' ' MET . . . 67.92 26.32 73.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.508 ' CG1' ' HG3' ' A' ' 47' ' ' GLN . 2.1 t -130.76 135.6 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -82.57 113.69 20.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.646 ' HG2' HD21 ' A' ' 102' ' ' LEU . 35.1 tt0 -109.79 106.21 15.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.032 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -104.42 122.58 45.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.646 HD21 ' HG2' ' A' ' 100' ' ' GLU . 2.4 mt -99.33 123.85 43.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.696 HD12 HG21 ' A' ' 46' ' ' VAL . 18.0 mt -113.63 127.73 56.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -116.47 129.8 56.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.922 HD13 ' CD1' ' A' ' 87' ' ' TRP . 46.6 tp -109.15 116.06 31.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -75.03 174.15 13.29 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.513 1.796 . . . . 0.0 110.971 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.498 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.4 Cg_endo -74.94 90.95 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.805 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.451 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 14.3 t0 -40.6 -29.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.231 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.803 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -151.04 149.3 29.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.612 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.49 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 62.3 mt -129.29 146.46 51.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.803 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.1 m0 -131.58 111.3 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.163 . . . . 0.0 107.999 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.683 HG12 HD13 ' A' ' 69' ' ' LEU . 11.1 p -71.74 118.26 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.464 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.6 t-160 -114.91 -33.65 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.642 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -125.96 161.11 28.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' HD12 ' A' ' 22' ' ' ILE . 2.7 tt0 -54.63 113.35 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 69.47 23.75 76.39 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.442 1.088 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.605 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.3 mp -122.56 157.46 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.2 m-85 -151.08 149.34 29.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' TRP . 1.4 ttp85 -105.74 131.12 53.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -81.49 179.9 7.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.591 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 13.1 tt0 -94.19 16.83 13.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -140.99 28.34 1.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 65.69 48.02 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.402 ' HB3' ' NE2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -126.86 117.44 22.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.29 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.416 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 1.4 p -80.43 134.45 36.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.762 ' HB3' HG12 ' A' ' 46' ' ' VAL . 54.5 m95 -116.84 150.35 38.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 107.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.699 HG23 HD11 ' A' ' 49' ' ' ILE . 2.5 t -116.79 103.47 15.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -87.15 112.92 22.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.6 t -100.05 81.73 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 p -45.99 112.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.36 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.617 ' C ' HD22 ' A' ' 42' ' ' LEU . 52.1 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.544 0.211 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.617 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.7 mm? -119.83 104.3 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.243 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.442 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 23.0 ttm180 -113.98 133.78 55.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.21 89.96 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.492 ' HG3' HD22 ' A' ' 102' ' ' LEU . 4.5 ttm180 -64.69 110.27 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.767 HG21 HD12 ' A' ' 103' ' ' LEU . 1.9 t -98.91 117.35 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.402 ' HG2' HG23 ' A' ' 49' ' ' ILE . 2.8 tt0 -111.04 134.62 52.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.424 ' OE1' ' N ' ' A' ' 49' ' ' ILE . 5.8 tp-100 -93.01 123.28 36.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.807 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -147.77 165.2 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.78 82.02 3.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -122.84 -59.42 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.3 mp -67.84 140.13 93.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.365 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.656 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.04 167.18 27.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.545 1.813 . . . . 0.0 110.979 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.683 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -75.32 -14.64 60.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.38 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.623 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -164.33 141.67 6.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.072 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.506 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.3 m0 -107.46 155.77 19.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 80' ' ' MET . 2.8 tp60 -135.37 98.93 4.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.855 HD13 ' CE1' ' A' ' 79' ' ' TYR . 11.5 tp -51.34 115.98 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -101.39 -177.43 0.56 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.551 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.06 179.21 6.32 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 1.1 mm-40 70.6 -79.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 9.5 tt0 168.66 62.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.467 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 84.4 mtt180 -157.27 160.14 38.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.855 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-85 -111.39 121.44 45.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.559 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -94.93 121.2 36.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.965 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.482 ' OD2' ' C ' ' A' ' 81' ' ' ASP . 42.9 p30 -87.24 -173.37 4.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -109.63 0.62 19.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.231 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.538 ' O ' ' CB ' ' A' ' 84' ' ' SER . 5.5 t-20 -82.12 -2.91 53.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 88.51 36.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.925 ' HB3' HD11 ' A' ' 105' ' ' LEU . 9.1 mtt180 -141.31 156.3 45.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -120.48 119.47 33.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.371 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 1.04 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.3 m95 -94.22 136.31 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 108.02 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 104' ' ' LYS . 4.2 tt0 -94.54 122.7 37.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.091 HD12 HD21 ' A' ' 101' ' ' LEU . 9.9 mm -63.47 94.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -45.66 70.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.217 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.72 ' CE1' HD11 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.98 147.56 2.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.548 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.569 ' C ' HD13 ' A' ' 93' ' ' LEU . 25.1 t-80 -142.93 109.6 5.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.655 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.636 HD11 ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -145.85 -170.56 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.261 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.8 ttm -131.22 129.39 41.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 98' ' ' VAL . 49.4 t -134.79 139.46 47.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? 47.58 39.44 9.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.246 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.15 27.07 72.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.115 . . . . 0.0 111.043 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 95' ' ' VAL . 2.1 t -130.33 134.5 62.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -95.32 115.4 27.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.569 ' HG2' HD21 ' A' ' 102' ' ' LEU . 30.8 tt0 -106.27 110.68 23.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.091 HD21 HD12 ' A' ' 89' ' ' ILE . 1.8 tt -105.77 121.89 44.95 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.72 HD11 ' CE1' ' A' ' 91' ' ' HIS . 2.2 mt -98.02 125.49 43.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.767 HD12 HG21 ' A' ' 46' ' ' VAL . 17.4 mt -115.24 129.15 56.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -118.53 127.03 53.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 1.04 HD13 ' CD1' ' A' ' 87' ' ' TRP . 35.1 tp -106.39 122.97 47.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.521 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.01 173.91 13.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.047 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.474 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.2 Cg_endo -75.0 93.15 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.431 1.753 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.437 ' HA ' ' CB ' ' A' ' 73' ' ' LEU . 15.6 t0 -41.86 -29.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.811 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -151.4 148.82 28.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.57 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 62.6 mt -129.37 146.12 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.811 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.6 m0 -130.81 112.64 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.6 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 8.3 p -73.49 119.14 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.474 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.5 t-160 -115.22 -34.38 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.575 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -127.67 158.24 38.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.348 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.02 110.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 71.93 21.72 78.96 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mp -124.09 139.16 51.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.583 0.813 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.3 m-85 -134.83 152.26 51.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -107.05 133.23 52.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.093 . . . . 0.0 110.294 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -85.7 179.7 7.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.18 23.54 2.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.462 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 8.1 m-85 -154.13 48.56 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 7.4 pm0 46.72 41.84 10.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.175 . . . . 0.0 110.28 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.87 110.09 17.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.465 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 7.1 p -74.98 144.53 43.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.371 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.85 ' HB3' HG12 ' A' ' 46' ' ' VAL . 49.7 m95 -124.64 153.1 42.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.02 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.941 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -117.51 97.91 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -83.07 104.56 13.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.426 HG11 ' NH2' ' A' ' 45' ' ' ARG . 99.1 t -89.21 75.97 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 p -52.13 109.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 3.1 pt-20 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.884 ' C ' HD22 ' A' ' 42' ' ' LEU . 8.9 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.552 0.215 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.884 HD22 ' C ' ' A' ' 41' ' ' PHE . 2.3 mm? -128.87 101.88 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 23.4 ttp85 -110.52 125.41 53.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.1 92.4 3.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.366 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.426 ' NH2' HG11 ' A' ' 34' ' ' VAL . 4.7 ttm180 -70.51 109.59 4.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.85 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -96.5 113.42 30.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.6 tt0 -109.05 133.75 52.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.513 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 27.6 tp60 -90.8 124.45 35.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.941 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -156.44 168.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.444 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 1.0 OUTLIER -91.59 112.03 23.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.364 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -119.64 -57.71 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.3 mp -66.84 143.12 97.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.621 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -74.98 168.37 25.0 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.495 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.95 -24.3 59.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.51 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -156.7 140.6 16.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.493 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.6 m0 -105.39 155.07 19.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.038 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 80' ' ' MET . 2.9 tp60 -134.09 95.81 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.799 HD12 ' N ' ' A' ' 74' ' ' TYR . 1.0 OUTLIER -41.87 123.07 2.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.799 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -124.59 175.55 2.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.549 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -74.91 177.81 8.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 1.0 OUTLIER 67.32 19.49 10.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 58.61 50.91 8.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 110.264 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -144.2 157.85 44.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.799 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-30 -111.57 128.93 56.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.595 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -101.43 119.35 38.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.407 ' HB3' ' HG3' ' A' ' 68' ' ' PRO . 7.4 p30 -92.52 176.08 6.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -97.59 2.32 49.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 84' ' ' SER . 1.9 t-20 -79.25 -2.16 39.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.9 OUTLIER 85.65 36.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.937 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.882 ' HB3' HD11 ' A' ' 105' ' ' LEU . 17.2 mmt85 -144.51 162.24 37.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 110.277 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 79' ' ' TYR . 1.3 tt -125.85 116.25 21.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.999 ' CD1' HD13 ' A' ' 105' ' ' LEU . 9.3 m95 -89.63 140.26 29.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 107.96 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.7 tt0 -96.17 129.13 43.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.033 HD12 HD21 ' A' ' 101' ' ' LEU . 5.6 mm -73.11 90.94 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -53.47 -42.08 66.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.716 ' CE1' HD11 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -170.53 150.41 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.547 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.521 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 15.4 t-80 -147.96 115.09 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.587 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.783 ' H ' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -152.52 -172.91 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.432 ' HA ' ' O ' ' A' ' 98' ' ' VAL . 1.3 ttp -140.85 122.32 15.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.8 t -126.91 143.31 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.88 34.85 8.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 69.13 23.97 76.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.452 HG22 HG22 ' A' ' 49' ' ' ILE . 2.0 t -124.17 126.28 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.506 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -91.26 117.86 30.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 110.285 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.615 ' HG2' HD21 ' A' ' 102' ' ' LEU . 35.1 tt0 -111.52 104.68 13.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.033 HD21 HD12 ' A' ' 89' ' ' ILE . 1.9 tt -102.45 124.78 48.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.716 HD11 ' CE1' ' A' ' 91' ' ' HIS . 2.4 mt -100.74 128.16 46.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.555 HD12 HG21 ' A' ' 46' ' ' VAL . 17.2 mt -118.31 131.92 56.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -120.03 126.29 50.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.999 HD13 ' CD1' ' A' ' 87' ' ' TRP . 37.3 tp -106.44 114.45 28.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.908 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.582 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -74.98 174.83 12.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.464 1.77 . . . . 0.0 111.011 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.529 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.3 Cg_endo -75.0 91.65 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' PRO . 15.7 t70 -40.09 -29.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.787 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.54 146.83 26.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.548 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 23' ' ' TYR . 56.0 mt -126.2 150.1 48.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.787 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 15.8 m0 -132.08 106.65 8.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 108.026 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.862 ' CG1' HD22 ' A' ' 69' ' ' LEU . 2.0 p -65.96 124.61 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 109.248 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -113.43 -31.84 6.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.638 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -146.46 160.69 41.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.605 ' O ' HD12 ' A' ' 22' ' ' ILE . 9.8 pt-20 -49.58 109.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 110.26 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.491 ' C ' HD12 ' A' ' 22' ' ' ILE . . . 74.95 24.93 70.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 20' ' ' GLU . 3.2 mp -130.44 130.44 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.549 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.4 m-85 -133.71 153.8 51.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.058 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -111.53 131.86 54.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' ARG . 12.0 t0 -80.15 176.7 9.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.535 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 11.9 tt0 -91.38 24.28 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.591 1.182 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -149.47 27.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 67.91 40.21 2.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER -115.78 114.87 25.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.8 p -79.48 140.84 37.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.864 ' HB3' HG12 ' A' ' 46' ' ' VAL . 53.6 m95 -122.57 156.15 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 108.038 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.91 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -119.78 93.98 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.467 ' O ' ' CA ' ' A' ' 21' ' ' GLY . . . -76.43 116.49 17.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 t -106.85 90.61 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.735 HG21 ' OE1' ' A' ' 66' ' ' GLN . 5.2 p -64.91 113.98 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.348 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.471 0.177 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.472 ' O ' ' CD ' ' A' ' 104' ' ' LYS . 39.7 mt -116.48 140.2 49.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -149.1 118.7 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.84 85.98 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.596 ' CG ' HD22 ' A' ' 102' ' ' LEU . 2.3 ttm-85 -64.6 108.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.864 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.1 t -95.62 110.79 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.541 ' HG2' HD12 ' A' ' 49' ' ' ILE . 1.2 tt0 -110.58 127.69 55.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.479 ' O ' HG13 ' A' ' 98' ' ' VAL . 1.1 tm0? -89.0 118.93 29.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.91 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -154.7 159.73 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -69.38 114.26 7.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.735 ' OE1' HG21 ' A' ' 35' ' ' VAL . 3.8 mt-30 -138.68 -57.85 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.142 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.579 HD12 ' N ' ' A' ' 67' ' ' LEU . 2.5 mp -66.8 144.56 98.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.698 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.04 167.65 26.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.986 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.862 HD22 ' CG1' ' A' ' 17' ' ' VAL . 0.8 OUTLIER -70.91 -40.28 72.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.687 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 5.3 ttp -140.52 141.67 35.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.497 ' CZ3' ' CE2' ' A' ' 23' ' ' TYR . 1.7 m0 -106.42 157.9 17.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 108.033 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -139.41 107.25 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.724 HD13 ' CE1' ' A' ' 79' ' ' TYR . 8.6 tp -59.7 115.41 3.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.253 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.55 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -102.12 -178.47 0.66 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.949 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.02 165.5 31.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 6.3 tt0 86.45 -75.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.582 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 4.4 tt0 162.08 56.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.587 ' HB2' HD21 ' A' ' 86' ' ' LEU . 14.7 mtp180 -153.91 158.58 40.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.888 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-30 -107.44 126.04 51.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.535 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.6 OUTLIER -99.46 117.34 33.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.434 ' OD1' ' CD1' ' A' ' 87' ' ' TRP . 1.6 p30 -89.27 177.28 6.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.69 0.94 42.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 84' ' ' SER . 18.3 t30 -80.44 -2.61 46.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.6 OUTLIER 86.86 34.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.922 ' HB3' HD11 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -141.3 158.92 43.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.203 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.587 HD21 ' HB2' ' A' ' 78' ' ' ARG . 1.3 tt -125.03 114.94 19.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.989 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.3 m95 -89.1 139.42 30.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.062 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.7 tt0 -94.91 122.52 37.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.998 HD12 HD21 ' A' ' 101' ' ' LEU . 16.9 mm -63.18 90.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.77 -44.13 58.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.765 ' CE1' HD11 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.66 154.99 3.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.66 ' C ' HD13 ' A' ' 93' ' ' LEU . 22.0 t-80 -151.88 112.19 4.11 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.095 . . . . 0.0 109.587 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.731 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -152.91 -170.44 3.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.448 ' HE1' ' C ' ' A' ' 97' ' ' GLY . 2.5 ttm -121.44 122.44 39.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.442 1.088 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.7 t -125.72 134.34 66.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 50.07 38.13 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.246 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.448 ' C ' ' HE1' ' A' ' 94' ' ' MET . . . 68.28 24.79 74.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.1 t -131.62 131.53 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.78 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -86.0 112.35 21.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.537 ' HG2' HD21 ' A' ' 102' ' ' LEU . 35.3 tt0 -103.78 113.9 27.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.998 HD21 HD12 ' A' ' 89' ' ' ILE . 1.8 tt -108.34 125.26 51.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.765 HD11 ' CE1' ' A' ' 91' ' ' HIS . 1.9 mt -101.68 129.84 47.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.729 HD12 HG21 ' A' ' 46' ' ' VAL . 15.8 mt -118.61 125.86 50.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -114.65 126.62 55.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.989 HD13 ' CD1' ' A' ' 87' ' ' TRP . 43.4 tp -106.37 118.04 35.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 106' ' ' LEU . 7.2 mp . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.626 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.98 174.51 12.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.525 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.3 Cg_endo -74.98 95.35 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.792 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -43.18 -27.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.807 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -155.07 148.76 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.567 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 49.8 mt -126.77 147.44 49.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.807 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 15.7 m0 -131.03 111.6 12.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 107.959 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.856 HG12 HD13 ' A' ' 69' ' ' LEU . 9.5 p -70.57 122.99 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.438 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.8 t-160 -114.78 -33.71 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.087 . . . . 0.0 109.603 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.501 ' HB3' HD13 ' A' ' 22' ' ' ILE . 2.0 mt-30 -133.22 167.5 20.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.268 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.512 ' O ' HD12 ' A' ' 22' ' ' ILE . 13.5 pt-20 -59.87 108.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 77.89 22.14 69.71 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.464 1.103 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.582 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.3 mp -124.15 155.47 31.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.574 0.808 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.0 m-85 -153.3 152.94 31.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -110.48 132.48 54.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' ARG . 26.9 t0 -80.12 178.68 8.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.374 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.553 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 26.5 tt0 -93.72 18.87 9.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -144.9 29.13 1.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 67.26 45.56 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.591 ' NH1' HE22 ' A' ' 99' ' ' GLN . 1.4 mtm180 -122.42 116.16 23.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.602 1.189 . . . . 0.0 110.264 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 p -79.95 139.05 37.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.896 ' HB3' HG12 ' A' ' 46' ' ' VAL . 58.4 m95 -123.54 152.93 41.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 107.984 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.861 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -121.48 96.41 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -83.11 103.93 12.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 34' ' ' VAL . 55.6 t -91.0 75.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 p -41.79 111.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.748 ' C ' HD22 ' A' ' 42' ' ' LEU . 12.2 m-85 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.502 0.192 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.748 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.3 mm? -123.01 107.92 12.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.221 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -113.2 125.92 54.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.88 93.12 4.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 33' ' ' ALA . 2.9 ttm-85 -68.54 106.04 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.896 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -93.86 108.39 20.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.566 ' HG2' HD12 ' A' ' 49' ' ' ILE . 2.2 tt0 -106.33 129.46 54.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.455 ' O ' HG13 ' A' ' 98' ' ' VAL . 1.6 tm0? -87.91 120.92 29.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.364 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.861 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -148.4 162.49 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -89.62 107.42 19.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.5 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.29 -64.33 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 110.268 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.7 mp -58.5 144.5 78.73 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.669 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.1 Cg_endo -75.03 149.73 37.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.778 . . . . 0.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.856 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -59.38 -23.04 62.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.606 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -157.47 138.28 13.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.583 ' CD1' ' HG2' ' A' ' 68' ' ' PRO . 1.4 m0 -103.78 157.73 16.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.059 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 80' ' ' MET . 2.8 tp60 -138.03 96.87 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.008 HD12 ' N ' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -41.61 125.01 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 1.008 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -121.98 167.69 13.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.949 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.467 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.97 164.75 32.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 0.2 OUTLIER 82.7 9.65 0.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.325 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 70.91 58.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.448 ' CB ' HD11 ' A' ' 86' ' ' LEU . 71.6 mtt180 -155.26 162.06 40.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.761 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-30 -117.52 130.26 56.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.102 . . . . 0.0 111.041 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.656 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -103.87 123.94 48.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.487 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 29.1 p30 -79.13 -173.58 3.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -113.77 0.79 14.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.652 ' O ' ' CB ' ' A' ' 84' ' ' SER . 8.3 t-20 -83.14 -50.47 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 2.9 m 145.38 40.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.996 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.679 ' HD2' HD21 ' A' ' 105' ' ' LEU . 34.2 mtt85 -144.42 157.55 44.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.279 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.656 HD22 ' HA ' ' A' ' 80' ' ' MET . 0.4 OUTLIER -123.39 117.59 25.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.69 ' CE2' HD22 ' A' ' 105' ' ' LEU . 7.6 m95 -97.16 143.56 27.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 107.998 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -102.65 133.71 47.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 110.304 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.077 HD12 HD21 ' A' ' 101' ' ' LEU . 17.7 mm -69.63 89.01 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 102' ' ' LEU . 1.7 mm-40 -47.95 -47.47 32.58 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.803 ' CD2' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -173.86 126.37 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.534 1.146 . . . . 0.0 109.561 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.626 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 23.6 t-80 -119.39 114.18 21.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.596 1.185 . . . . 0.0 109.632 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.803 HD22 ' CD2' ' A' ' 91' ' ' HIS . 0.7 OUTLIER -152.12 177.39 10.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.227 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.45 ' HE3' ' HG3' ' A' ' 99' ' ' GLN . 5.6 ttm -121.35 134.42 55.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 98' ' ' VAL . 49.4 t -137.15 139.46 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 47.42 40.54 11.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.34 25.27 71.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.1 t -129.35 131.03 67.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.591 HE22 ' NH1' ' A' ' 29' ' ' ARG . 63.7 mt-30 -87.64 118.7 27.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.552 ' HG2' HD21 ' A' ' 102' ' ' LEU . 7.7 tt0 -110.25 103.16 11.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.077 HD21 HD12 ' A' ' 89' ' ' ILE . 2.9 tt -99.93 120.74 40.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.581 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.5 mt -96.99 121.7 39.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.781 HD12 HG21 ' A' ' 46' ' ' VAL . 20.6 mt -111.53 131.97 54.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -123.13 125.66 45.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.244 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.69 HD22 ' CE2' ' A' ' 87' ' ' TRP . 20.7 tp -101.37 123.35 45.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.504 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -74.96 172.65 15.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HB3' ' CG ' ' A' ' 25' ' ' ASP . 18.3 Cg_endo -75.01 95.51 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -44.47 -26.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.768 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -152.63 146.91 25.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.603 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.507 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 66.4 mt -129.03 145.74 51.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.768 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.3 m0 -130.42 110.07 11.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 108.014 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.633 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 10.5 p -71.85 117.7 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 18' ' ' HIS . 1.8 t60 -113.01 -30.31 7.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.551 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -132.55 152.6 51.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 20' ' ' GLU . 1.1 pp20? -51.16 110.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.259 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 76.59 24.32 67.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.1 mp -131.23 148.13 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.633 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.4 m-85 -143.83 152.07 40.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -107.62 132.41 53.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.403 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 23.4 t0 -85.69 179.73 7.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -88.74 23.21 2.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.546 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 12.4 m-85 -151.93 45.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.612 ' CG ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER 49.21 36.75 9.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.86 108.17 17.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 p -74.1 145.7 44.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.419 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.838 ' HB3' HG12 ' A' ' 46' ' ' VAL . 51.9 m95 -124.89 158.33 33.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.948 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -120.54 101.29 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -86.82 104.59 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.339 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.798 HG11 ' NH2' ' A' ' 45' ' ' ARG . 71.5 t -91.97 76.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.483 ' CG2' ' OE1' ' A' ' 66' ' ' GLN . 7.5 p -46.71 105.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.736 ' C ' HD22 ' A' ' 42' ' ' LEU . 2.3 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.555 0.217 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.736 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.3 mm? -122.84 109.33 14.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.536 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -117.89 123.56 46.15 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -115.13 92.28 3.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.798 ' NH2' HG11 ' A' ' 34' ' ' VAL . 6.7 ttm180 -68.6 109.62 3.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.838 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -95.9 113.59 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.568 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.1 tt0 -108.03 128.48 54.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.529 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -86.08 123.94 31.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.948 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -156.86 165.0 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.601 1.188 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -92.76 111.71 23.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.933 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.483 ' OE1' ' CG2' ' A' ' 35' ' ' VAL . 58.8 mt-30 -136.38 -56.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.1 mp -70.84 140.21 86.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -74.95 167.35 27.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.768 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.455 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.05 -20.95 60.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.545 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 8.1 ttp -159.44 143.37 14.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.488 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -107.78 159.15 16.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.429 ' CB ' ' O ' ' A' ' 80' ' ' MET . 2.5 tp60 -138.23 100.95 4.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.947 HD12 ' N ' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -46.43 121.41 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.947 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -120.47 172.75 4.34 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.928 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.592 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.1 Cg_endo -75.02 179.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.586 1.835 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 2.8 mm-40 66.52 16.32 10.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 63.03 54.31 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.666 ' HB2' HD11 ' A' ' 86' ' ' LEU . 7.8 mtm180 -148.25 160.91 42.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.321 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.707 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.1 m-30 -114.25 134.01 55.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.849 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -104.63 123.11 46.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.181 . . . . 0.0 111.041 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.436 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 6.3 p30 -96.09 178.01 5.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.36 2.46 42.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.256 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 84' ' ' SER . 14.0 t-20 -80.18 -2.64 45.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 85.04 39.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.921 ' HB3' HD11 ' A' ' 105' ' ' LEU . 69.6 mtt180 -148.5 158.99 44.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.849 HD22 ' HA ' ' A' ' 80' ' ' MET . 0.9 OUTLIER -119.55 119.32 33.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 1.031 ' CD1' HD13 ' A' ' 105' ' ' LEU . 9.0 m95 -92.39 139.31 30.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 108.071 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.0 tt0 -95.75 127.61 41.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.771 HD12 HD21 ' A' ' 101' ' ' LEU . 6.2 mm -68.42 93.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.436 ' CG ' ' HE3' ' A' ' 104' ' ' LYS . 3.9 mm100 -55.39 -45.7 76.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.607 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -172.12 146.96 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.575 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.571 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 24.7 t-80 -144.0 110.36 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.608 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.408 HD13 HG23 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -150.95 -172.99 4.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.0 ttm -116.34 126.47 53.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.408 HG23 HD13 ' A' ' 93' ' ' LEU . 35.5 t -127.26 133.52 67.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 49.57 37.7 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 69.81 17.89 73.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.568 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.1 t -124.55 130.68 73.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.425 0.721 . . . . 0.0 109.323 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -80.18 114.66 19.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.621 ' HG2' HD21 ' A' ' 102' ' ' LEU . 36.2 tt0 -106.88 106.37 16.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.622 1.201 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.771 HD21 HD12 ' A' ' 89' ' ' ILE . 2.4 tt -102.08 125.58 48.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.634 HD23 ' C ' ' A' ' 101' ' ' LEU . 2.9 mt -102.01 127.33 48.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.607 HD12 HG21 ' A' ' 46' ' ' VAL . 13.4 mt -117.72 131.43 56.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.3 tppp? -120.71 129.99 53.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 1.031 HD13 ' CD1' ' A' ' 87' ' ' TRP . 42.2 tp -110.08 122.41 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.459 ' CD1' ' CE1' ' A' ' 41' ' ' PHE . 3.9 mm? . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.585 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.99 173.26 14.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.963 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.474 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.5 Cg_endo -74.91 93.68 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.079 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.44 -27.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.805 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -152.02 145.89 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.596 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 54.9 mt -127.34 146.38 50.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.805 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.5 m0 -130.55 111.17 12.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.625 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.6 p -70.86 121.8 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.448 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.6 t60 -115.79 -32.54 5.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.598 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.3 158.94 42.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.47 109.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 32' ' ' VAL . . . 76.51 22.07 73.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.587 1.179 . . . . 0.0 111.025 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.456 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.5 mp -127.91 143.2 41.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.625 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.3 m-85 -140.71 153.63 46.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -108.48 133.72 52.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.44 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 23.1 t0 -87.49 -178.91 6.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -90.85 19.74 5.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.538 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 4.9 m-85 -147.01 44.0 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.538 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 7.5 pt20 48.41 43.82 19.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.402 ' HB2' ' HB3' ' A' ' 25' ' ' ASP . 58.6 mtt180 -121.21 109.2 14.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 p -73.52 143.84 46.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.847 ' HB3' HG12 ' A' ' 46' ' ' VAL . 50.6 m95 -122.5 157.99 30.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.001 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.905 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -119.74 98.37 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -86.72 111.56 20.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.0 t -103.41 102.1 13.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.3 123.35 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.572 ' C ' HD22 ' A' ' 42' ' ' LEU . 27.4 m-85 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.527 0.203 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.572 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.6 mm? -115.6 125.66 53.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.225 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.498 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 12.1 ttp180 -138.57 139.65 38.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 103' ' ' LEU . . . -129.17 107.95 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.53 ' CG ' HD22 ' A' ' 102' ' ' LEU . 2.0 ttm180 -78.11 107.21 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.847 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -91.75 110.96 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.516 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.2 tt0 -107.32 127.53 53.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.621 ' O ' HG13 ' A' ' 98' ' ' VAL . 1.2 tm0? -86.3 120.85 28.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.905 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -154.64 166.12 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.426 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 1.0 OUTLIER -95.38 87.13 4.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.616 HG13 HG12 ' A' ' 49' ' ' ILE . 18.3 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.41 ' O ' ' OG ' ' A' ' 65' ' ' SER . 5.9 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -139.62 -52.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.581 HD12 ' N ' ' A' ' 67' ' ' LEU . 4.1 mp -68.1 141.1 93.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.238 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.638 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -75.01 175.48 11.18 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.44 1.758 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -83.98 -14.13 51.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.228 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.596 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -166.44 139.2 3.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.465 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.9 m0 -106.27 154.09 21.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 107.968 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -135.97 94.94 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.711 HD12 ' N ' ' A' ' 74' ' ' TYR . 3.6 tp -41.75 126.61 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.711 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -124.48 -178.36 0.67 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.579 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.03 170.84 19.53 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.525 1.803 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 2.8 mm-40 72.93 12.45 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 65.29 47.94 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.411 ' HB2' HD21 ' A' ' 86' ' ' LEU . 9.2 mtp180 -137.75 161.67 35.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.698 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.5 m-30 -114.21 125.26 53.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.581 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 1.2 ttt -98.0 121.08 39.49 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.383 1.052 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.449 ' OD2' ' N ' ' A' ' 83' ' ' ASN . 5.7 p30 -92.37 178.63 5.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.361 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -100.58 3.04 42.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 84' ' ' SER . 26.6 t30 -80.18 -3.34 48.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 87.14 38.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.97 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.901 ' HB3' HD11 ' A' ' 105' ' ' LEU . 27.0 mtt180 -148.23 161.01 42.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 79' ' ' TYR . 1.3 tt -122.48 117.97 27.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.981 ' CD1' HD13 ' A' ' 105' ' ' LEU . 7.4 m95 -90.43 138.92 31.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 108.056 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.3 tt0 -97.44 122.86 40.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.062 HD12 HD21 ' A' ' 101' ' ' LEU . 6.0 mm -60.73 89.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -48.93 -45.91 42.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.613 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -172.7 138.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.546 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.585 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 21.7 t-80 -135.38 115.88 13.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.577 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.89 -171.66 3.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.432 ' HE1' ' C ' ' A' ' 97' ' ' GLY . 2.7 ttm -118.87 125.64 49.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.2 t -128.06 135.11 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.7 38.95 16.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.432 ' C ' ' HE1' ' A' ' 94' ' ' MET . . . 66.84 25.26 73.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.072 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.1 t -132.44 132.44 60.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 109.219 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.43 ' NE2' ' OE1' ' A' ' 48' ' ' GLN . 46.1 mt-30 -82.12 112.95 19.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.553 ' HG2' HD21 ' A' ' 102' ' ' LEU . 33.6 tt0 -105.8 107.56 18.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.062 HD21 HD12 ' A' ' 89' ' ' ILE . 2.1 tt -101.77 121.89 42.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.585 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 3.0 mt -97.66 121.48 39.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.827 HD12 HG21 ' A' ' 46' ' ' VAL . 11.9 mt -110.85 128.63 55.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.693 ' NZ ' HD12 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -119.27 129.27 54.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.981 HD13 ' CD1' ' A' ' 87' ' ' TRP . 43.9 tp -109.4 127.76 54.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.693 HD12 ' NZ ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -75.05 172.42 16.39 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.542 1.812 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.536 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 17.9 Cg_endo -75.11 93.91 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.424 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 20.8 t70 -41.84 -28.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.797 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -152.37 148.12 27.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.52 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 66.5 mt -128.89 145.09 51.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.797 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.7 m0 -130.04 109.76 11.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 108.047 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.606 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.3 p -69.43 119.56 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -114.27 -32.84 5.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.564 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -129.04 159.1 37.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.496 ' O ' HD12 ' A' ' 22' ' ' ILE . 7.1 pm0 -53.42 111.4 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 73.17 27.28 68.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.581 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.7 mp -127.8 158.77 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 0.801 . . . . 0.0 109.328 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 13.0 m-85 -154.23 148.78 26.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.54 133.56 50.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 110.283 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -85.34 178.25 7.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 8.4 tt0 -88.17 23.51 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.549 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 13.5 m-85 -153.02 45.37 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.633 ' CG ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER 50.8 35.92 13.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.272 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.82 114.04 27.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 p -76.99 148.72 36.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.597 1.186 . . . . 0.0 110.416 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.799 ' HB3' HG12 ' A' ' 46' ' ' VAL . 55.4 m95 -132.52 152.73 51.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.889 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -121.77 107.69 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -89.66 113.81 25.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 34' ' ' VAL . 53.6 t -100.34 81.61 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 p -52.74 117.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.419 1.074 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.435 ' C ' HD22 ' A' ' 42' ' ' LEU . 29.0 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.506 0.193 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.435 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.9 mm? -114.65 97.3 6.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.229 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.8 121.25 42.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.31 90.31 3.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.469 ' CG ' HD22 ' A' ' 102' ' ' LEU . 3.3 ttm180 -67.21 108.14 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.286 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.799 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.8 t -95.07 112.93 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.8 tt0 -110.33 129.97 55.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.575 ' O ' HG13 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -89.08 123.49 33.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.889 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -148.17 164.07 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.329 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.0 86.07 4.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.582 1.176 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.316 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -140.0 -58.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 67' ' ' LEU . 4.0 mp -65.3 139.35 97.43 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.677 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.1 Cg_endo -74.99 167.63 26.63 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.465 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -76.92 -6.9 54.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.563 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -171.03 145.09 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.515 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.4 m0 -112.16 155.93 23.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 107.97 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 80' ' ' MET . 2.3 tp60 -136.05 101.77 4.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.823 HD13 ' CE1' ' A' ' 79' ' ' TYR . 14.3 tp -51.62 122.44 8.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.356 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.585 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -109.42 -179.34 0.66 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.468 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -74.9 169.02 23.53 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 1.1 tt0 80.63 -78.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 1.5 tt0 167.19 53.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.718 ' HB2' HD11 ' A' ' 86' ' ' LEU . 42.6 mtt180 -147.9 160.43 42.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.823 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.2 m-30 -112.72 131.08 55.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.821 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -102.27 124.82 48.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.464 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 31.6 p30 -80.36 -175.07 4.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.314 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.97 2.95 17.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.663 ' O ' ' CB ' ' A' ' 84' ' ' SER . 21.9 t30 -85.46 -49.17 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.663 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 6.6 t 142.78 42.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.67 ' HB3' HD11 ' A' ' 105' ' ' LEU . 34.8 mtt180 -147.91 156.65 42.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.065 . . . . 0.0 110.316 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.821 HD22 ' HA ' ' A' ' 80' ' ' MET . 1.1 tm? -120.02 119.84 34.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.677 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 7.9 m95 -94.07 138.47 32.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 108.054 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.2 tt0 -95.43 122.53 38.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.082 HD12 HD21 ' A' ' 101' ' ' LEU . 9.3 mm -63.87 93.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -45.39 67.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.687 ' CE1' HD11 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.99 147.18 2.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.663 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 24.1 t-80 -141.53 112.54 7.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.118 . . . . 0.0 109.651 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.657 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -153.47 -171.25 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.646 ' HE2' ' C ' ' A' ' 97' ' ' GLY . 2.2 ttm -120.29 122.35 40.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.0 t -124.46 133.73 68.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 51.2 39.02 22.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.646 ' C ' ' HE2' ' A' ' 94' ' ' MET . . . 66.06 25.99 72.27 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.2 t -132.67 131.31 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -81.0 115.17 20.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.562 ' HG2' HD21 ' A' ' 102' ' ' LEU . 33.6 tt0 -108.76 109.86 21.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.082 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -105.51 122.1 45.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.363 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.687 HD11 ' CE1' ' A' ' 91' ' ' HIS . 2.2 mt -97.87 124.95 42.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.753 HD12 HG21 ' A' ' 46' ' ' VAL . 15.6 mt -115.02 128.55 56.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 88' ' ' GLN . 1.5 tppp? -118.1 128.23 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.675 HD22 ' CZ2' ' A' ' 87' ' ' TRP . 39.1 tp -106.68 120.2 41.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.4 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.6 mm? . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.546 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.6 Cg_endo -74.96 173.78 13.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.494 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -74.97 93.93 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.548 1.815 . . . . 0.0 111.033 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.438 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 15.6 t70 -43.42 -27.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.805 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -152.35 150.13 29.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.563 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.489 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 60.2 mt -131.04 146.11 52.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.805 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -130.79 110.78 11.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 108.008 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.593 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 10.7 p -70.01 118.1 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.456 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.7 t-160 -113.88 -32.91 5.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.601 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -129.86 162.03 29.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.468 ' O ' HD12 ' A' ' 22' ' ' ILE . 24.4 tt0 -55.27 112.29 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 70.72 22.29 78.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 20' ' ' GLU . 1.2 mp -124.88 144.79 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.3 m-85 -139.91 152.63 46.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.985 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -108.45 133.2 52.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 29' ' ' ARG . 13.4 t0 -82.06 -177.77 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 1.195 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 11.9 pt-20 -96.69 19.57 12.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.251 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -143.77 28.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 65.35 47.12 2.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 63.6 mtt180 -125.61 115.55 20.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.335 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.2 p -76.16 147.05 38.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 110.385 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.823 ' HB3' HG12 ' A' ' 46' ' ' VAL . 59.2 m95 -128.74 157.08 42.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.011 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.873 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -123.43 96.79 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.472 ' HB1' ' CD2' ' A' ' 67' ' ' LEU . . . -82.9 99.68 9.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.39 1.056 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.444 HG23 HG12 ' A' ' 32' ' ' VAL . 59.2 t -86.28 81.26 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 35' ' ' VAL . 5.4 p -47.04 101.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.748 ' C ' HD22 ' A' ' 42' ' ' LEU . 4.1 m-85 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.457 0.17 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.748 HD22 ' C ' ' A' ' 41' ' ' PHE . 2.9 mm? -124.03 102.41 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 0.1 OUTLIER -108.95 128.37 54.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.432 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -117.51 89.87 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.489 ' CG ' HD22 ' A' ' 102' ' ' LEU . 2.6 ttm180 -66.77 106.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.823 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.2 t -93.44 108.17 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.57 ' CD ' HG11 ' A' ' 98' ' ' VAL . 0.9 OUTLIER -105.65 126.77 52.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.525 ' O ' HG13 ' A' ' 98' ' ' VAL . 1.2 tm0? -85.95 120.19 27.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.873 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -154.33 161.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.58 117.09 25.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.2 -62.63 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.9 mp -66.38 143.16 98.13 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.646 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.96 167.67 26.53 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.482 1.78 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.575 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -74.96 -19.31 60.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.605 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -161.22 140.82 10.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 1.097 . . . . 0.0 111.042 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.493 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.7 m0 -106.51 155.15 19.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 108.001 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -136.62 101.19 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.806 HD13 ' CE1' ' A' ' 79' ' ' TYR . 9.2 tp -51.93 113.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.574 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -101.25 -177.79 0.6 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.984 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.574 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.0 Cg_endo -74.98 173.36 14.64 Favored 'Trans proline' 0 C--N 1.362 1.237 0 O-C-N 124.389 1.731 . . . . 0.0 110.973 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.4 OUTLIER 81.0 -80.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.613 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 16.1 tt0 167.44 50.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.449 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -147.72 164.43 33.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.245 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.806 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.2 m-85 -112.24 123.14 49.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.568 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -97.55 117.66 32.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.477 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 24.7 p-10 -70.83 -168.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -117.56 -0.73 11.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.636 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.7 t-20 -81.84 -51.17 8.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 2.7 m 146.96 40.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.887 ' HB3' HD11 ' A' ' 105' ' ' LEU . 11.0 mtt180 -145.35 161.35 39.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 78' ' ' ARG . 1.2 tt -126.38 117.33 22.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.926 ' CD1' HD13 ' A' ' 105' ' ' LEU . 9.4 m95 -91.49 134.34 34.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 107.988 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 104' ' ' LYS . 1.9 tt0 -92.1 121.34 33.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.072 HD12 HD21 ' A' ' 101' ' ' LEU . 8.0 mm -63.6 91.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -46.1 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.68 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.02 142.81 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.615 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 23.6 t-80 -136.15 114.83 11.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.67 -170.87 3.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.441 ' HE1' ' C ' ' A' ' 97' ' ' GLY . 4.1 ttm -123.68 128.47 49.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' VAL . 24.5 t -127.8 135.69 62.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 47.46 38.49 7.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.441 ' C ' ' HE1' ' A' ' 94' ' ' MET . . . 68.55 25.85 74.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.57 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.2 t -130.61 129.89 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 0.747 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -81.44 114.23 20.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.621 ' HG2' HD21 ' A' ' 102' ' ' LEU . 32.7 tt0 -107.13 105.58 15.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.072 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -102.09 121.4 42.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.68 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.7 mt -97.51 123.12 41.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.708 HD12 HG21 ' A' ' 46' ' ' VAL . 15.0 mt -113.18 129.31 56.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.5 tppp? -117.03 126.0 52.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.926 HD13 ' CD1' ' A' ' 87' ' ' TRP . 34.6 tp -106.32 117.86 35.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.3 mm? . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.655 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.97 173.88 13.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.807 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.521 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.2 Cg_endo -74.99 99.85 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -45.91 -25.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.818 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -157.64 147.1 20.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.62 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 53.1 mt -125.8 146.88 49.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.818 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 16.0 m0 -130.69 111.37 12.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 107.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.912 HG12 HD13 ' A' ' 69' ' ' LEU . 9.6 p -70.6 118.61 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.444 ' CD2' ' C ' ' A' ' 18' ' ' HIS . 1.8 t60 -114.81 -33.5 5.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.553 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -130.3 155.68 45.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -50.01 111.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.38 20.37 79.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.461 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mp -124.24 138.59 53.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.592 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 13.3 m-85 -134.11 153.01 52.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.77 131.89 54.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' ARG . 17.5 t0 -79.06 178.78 7.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 15.1 tt0 -94.02 19.7 8.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -143.69 23.53 1.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.061 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.98 44.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -122.19 117.62 26.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.273 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 p -79.98 140.9 36.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.864 ' HB3' HG12 ' A' ' 46' ' ' VAL . 56.2 m95 -124.02 150.51 44.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.849 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.4 t -113.25 88.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -81.63 113.25 19.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 45' ' ' ARG . 26.9 m -112.22 106.56 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 p -59.01 116.68 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.859 ' C ' HD22 ' A' ' 42' ' ' LEU . 8.7 m-85 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.543 0.211 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.859 HD22 ' C ' ' A' ' 41' ' ' PHE . 2.8 mm? -126.56 95.91 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 28.3 ttm180 -107.37 133.74 51.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.419 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -119.29 104.94 10.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.329 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.479 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 5.2 ttm180 -76.95 110.55 11.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.152 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.864 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -96.97 111.41 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.693 ' HG2' HD12 ' A' ' 49' ' ' ILE . 2.8 tt0 -106.96 133.79 51.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.506 ' OE1' ' CE2' ' A' ' 31' ' ' TRP . 29.3 tp60 -87.5 125.65 34.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.344 1.027 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.849 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -152.94 170.43 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.87 99.03 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.1 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -130.88 -60.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.8 mp -66.06 141.01 97.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.674 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.05 171.38 18.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.912 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -76.52 -21.16 56.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.53 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 2.6 tmm? -158.52 143.97 16.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.485 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -109.22 154.36 22.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 108.037 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -135.81 96.41 3.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 74' ' ' TYR . 1.8 tp -44.53 125.86 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.764 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -125.91 -178.99 0.8 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.56 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -74.94 176.46 9.86 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.451 1.764 . . . . 0.0 111.003 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 52.0 mm-40 66.88 17.6 10.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 59.82 50.76 6.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.61 ' HB2' HD21 ' A' ' 86' ' ' LEU . 16.7 mtt180 -141.68 158.9 43.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.723 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.3 m-30 -111.25 127.67 55.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.583 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -99.76 117.01 33.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 83' ' ' ASN . 6.6 p30 -90.73 -179.93 5.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -99.76 1.76 43.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.5 t-20 -79.14 -2.64 41.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER 84.75 35.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.088 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.839 ' HB3' HD11 ' A' ' 105' ' ' LEU . 1.1 mtt180 -142.07 162.7 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.61 HD21 ' HB2' ' A' ' 78' ' ' ARG . 0.8 OUTLIER -125.4 113.16 17.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 1.007 ' CD1' HD13 ' A' ' 105' ' ' LEU . 7.7 m95 -86.29 140.09 30.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 108.078 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.7 tt0 -97.32 122.79 40.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.024 HD12 HD21 ' A' ' 101' ' ' LEU . 5.8 mm -63.47 92.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.89 -44.37 66.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.666 ' CE1' HD11 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.07 142.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.622 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.655 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 21.3 t-80 -140.52 113.28 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.501 ' CD1' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -159.25 -176.72 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.401 ' HE1' ' C ' ' A' ' 97' ' ' GLY . 2.5 ttm -110.0 124.06 50.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.068 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.469 HG23 HD23 ' A' ' 93' ' ' LEU . 17.9 t -124.17 132.99 70.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 49.7 37.98 14.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.379 1.049 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.401 ' C ' ' HE1' ' A' ' 94' ' ' MET . . . 68.88 25.21 75.43 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.1 t -133.62 130.6 56.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -79.97 115.03 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.562 ' HG2' HD21 ' A' ' 102' ' ' LEU . 33.8 tt0 -109.56 107.77 17.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.024 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -102.6 122.06 43.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.666 HD11 ' CE1' ' A' ' 91' ' ' HIS . 2.6 mt -98.26 125.96 43.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.723 HD12 HG21 ' A' ' 46' ' ' VAL . 23.3 mt -116.58 125.8 52.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -114.98 128.22 56.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 109.225 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 1.007 HD13 ' CD1' ' A' ' 87' ' ' TRP . 32.6 tp -108.18 127.92 54.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 106' ' ' LEU . 5.1 mp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.06 173.41 14.55 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.471 1.774 . . . . 0.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.2 Cg_endo -75.02 96.56 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -43.72 -27.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.809 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -155.02 148.59 25.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 66.9 mt -128.04 147.15 50.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.809 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.8 m0 -130.7 111.02 11.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 107.985 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.814 HG12 HD13 ' A' ' 69' ' ' LEU . 7.0 p -71.17 120.11 18.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.404 1.065 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.452 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.6 t60 -114.97 -33.27 5.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.625 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.57 157.31 43.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -52.75 112.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.299 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.469 ' C ' HD12 ' A' ' 22' ' ' ILE . . . 73.73 29.38 63.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.587 1.18 . . . . 0.0 111.068 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.0 mp -134.31 151.98 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.624 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 14.0 m-85 -148.97 150.01 32.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 16' ' ' TRP . 2.2 ttp180 -105.07 132.88 50.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' ARG . 14.0 t0 -80.16 178.98 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.553 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 11.5 tt0 -92.95 23.97 3.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -150.47 30.46 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 65.57 42.35 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.343 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -117.84 115.18 24.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.9 p -76.82 145.74 38.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.454 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.801 ' HB3' HG12 ' A' ' 46' ' ' VAL . 59.6 m95 -129.22 159.13 37.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 108.009 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.9 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -126.36 101.35 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -87.83 119.96 28.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 45' ' ' ARG . 98.6 t -111.32 99.7 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.7 p -62.23 120.9 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.09 . . . . 0.0 110.329 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.866 ' C ' HD22 ' A' ' 42' ' ' LEU . 24.6 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.507 0.194 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.866 HD22 ' C ' ' A' ' 41' ' ' PHE . 2.2 mm? -125.51 90.73 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.625 HH21 ' HZ1' ' A' ' 104' ' ' LYS . 24.8 ttm180 -102.08 126.28 48.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.443 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -113.44 84.96 2.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.575 ' HG3' HD22 ' A' ' 102' ' ' LEU . 6.3 ttm180 -60.47 108.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.153 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.801 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.4 t -96.5 115.72 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.584 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.1 tt0 -111.47 126.9 55.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.068 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.469 ' C ' HG23 ' A' ' 49' ' ' ILE . 1.1 tm0? -85.5 119.4 25.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.9 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -154.48 160.85 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.08 114.3 25.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' A' ' 65' ' ' SER . 5.6 p . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -135.76 -54.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.8 mp -69.41 138.37 88.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.664 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.99 175.12 11.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.525 1.803 . . . . 0.0 111.053 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.814 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -81.0 -22.89 39.07 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.61 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -154.97 142.16 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.518 ' CE2' HD13 ' A' ' 103' ' ' LEU . 1.5 m0 -108.44 157.71 18.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' MET . 1.9 tp60 -137.68 103.47 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.847 HD13 ' HE1' ' A' ' 79' ' ' TYR . 10.4 tp -54.12 113.63 1.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.575 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.76 -178.73 0.76 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.532 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.03 173.18 14.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.437 1.756 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.6 OUTLIER 79.0 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.416 1.072 . . . . 0.0 110.311 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 43.4 tt0 171.5 48.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.639 ' CB ' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -145.49 166.51 25.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.847 ' HE1' HD13 ' A' ' 73' ' ' LEU . 2.2 m-85 -115.42 135.24 54.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.785 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -106.01 127.32 53.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 81' ' ' ASP . 36.2 p30 -93.6 -174.33 3.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.62 -3.12 18.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.525 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.1 t-20 -80.73 -3.46 50.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 1.1 t 87.79 39.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.846 ' HB3' HD11 ' A' ' 105' ' ' LEU . 29.2 mtt180 -143.34 149.26 37.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.785 HD22 ' HA ' ' A' ' 80' ' ' MET . 1.0 OUTLIER -114.48 120.57 40.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.893 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.5 m95 -95.71 135.09 37.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 104' ' ' LYS . 1.3 tt0 -91.81 125.08 36.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.98 ' CD1' HD21 ' A' ' 101' ' ' LEU . 8.6 mm -64.15 85.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 109.322 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.412 ' CG ' ' HB2' ' A' ' 104' ' ' LYS . 2.8 mm-40 -47.43 -46.98 26.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.642 ' CD2' HD21 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -172.96 137.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.592 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 22.4 t-80 -132.93 114.37 13.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 109.604 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.642 HD21 ' CD2' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -152.95 -171.22 3.86 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.419 ' HE1' ' C ' ' A' ' 97' ' ' GLY . 5.3 ttm -127.89 133.51 49.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 98' ' ' VAL . 44.9 t -134.47 138.07 50.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.6 mmp_? 48.34 38.3 10.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.419 ' C ' ' HE1' ' A' ' 94' ' ' MET . . . 67.9 24.84 74.36 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.584 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.1 t -128.95 132.04 67.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -84.57 117.48 23.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.56 ' HG2' HD21 ' A' ' 102' ' ' LEU . 2.2 tt0 -109.06 103.21 12.18 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.98 HD21 ' CD1' ' A' ' 89' ' ' ILE . 3.3 tt -101.33 120.87 40.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.628 ' N ' HD23 ' A' ' 102' ' ' LEU . 2.1 mt -97.7 122.39 40.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.612 HD12 HG21 ' A' ' 46' ' ' VAL . 21.9 mt -111.95 126.53 55.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.625 ' HZ1' HH21 ' A' ' 43' ' ' ARG . 1.2 tppt? -116.92 125.2 51.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.893 HD13 ' CD1' ' A' ' 87' ' ' TRP . 31.8 tp -103.41 112.37 25.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.753 ' H ' HD23 ' A' ' 106' ' ' LEU . 2.4 pt? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -74.99 172.63 15.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.568 1.825 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.525 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.2 Cg_endo -75.07 92.14 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.464 1.771 . . . . 0.0 111.034 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.512 ' HA ' ' CB ' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -43.5 -26.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.802 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -150.23 148.07 28.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.621 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.5 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 62.3 mt -130.63 147.24 52.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.802 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.2 m0 -131.8 110.23 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.018 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.791 HG12 HD13 ' A' ' 69' ' ' LEU . 9.8 p -70.32 119.09 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 18' ' ' HIS . 1.8 t60 -113.7 -27.58 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.05 159.34 42.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -54.21 111.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 110.384 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 73.5 22.85 78.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.2 mp -127.67 142.82 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.0 m-85 -137.84 155.32 49.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 111.023 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -110.32 129.85 55.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.476 ' CB ' ' HB2' ' A' ' 29' ' ' ARG . 21.4 t0 -80.74 177.09 9.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.39 21.18 4.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -144.4 28.7 1.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 63.71 46.07 4.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.476 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -125.66 114.35 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.358 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.437 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 5.4 p -74.98 142.7 43.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.426 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.815 ' HB3' HG12 ' A' ' 46' ' ' VAL . 49.8 m95 -122.09 153.95 37.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.939 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -116.44 100.55 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -86.51 103.78 15.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.3 t -93.54 84.6 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -47.46 110.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.247 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.078 . . . . 0.0 110.261 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' C ' HD22 ' A' ' 42' ' ' LEU . 8.9 m-85 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.462 0.172 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.441 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.9 mm? -118.96 115.62 24.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 49.3 ttp180 -121.09 129.14 53.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.91 93.67 4.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -69.58 107.38 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.815 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.4 t -95.75 111.81 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -107.72 130.25 54.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.478 ' NE2' ' CD1' ' A' ' 31' ' ' TRP . 0.3 OUTLIER -88.02 121.21 30.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.342 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.939 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -150.24 163.92 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.481 HE21 ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -96.25 93.22 6.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.336 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.6 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -125.78 -63.11 1.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 110.244 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.9 mp -65.23 140.66 97.95 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.676 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.5 Cg_endo -74.88 164.46 33.44 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.791 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -72.27 -17.93 61.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.523 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 1.9 tmm? -160.92 143.98 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.504 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -109.84 154.56 22.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 80' ' ' MET . 2.8 tp60 -133.86 97.02 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.842 HD13 ' CE1' ' A' ' 79' ' ' TYR . 13.5 tp -46.86 117.85 1.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.581 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -102.59 -179.15 0.74 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.01 165.6 30.95 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 2.8 tt0 82.4 -76.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.553 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 2.2 tt0 168.43 50.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.513 ' CB ' HD11 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -142.05 161.13 38.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.842 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-85 -115.19 119.32 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.581 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -93.31 129.43 39.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 5.3 p30 -100.09 177.73 5.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -98.67 1.47 46.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 84' ' ' SER . 19.3 t-20 -79.87 -5.4 55.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 1.8 t 88.47 32.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 109.977 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.686 ' HB3' HD11 ' A' ' 105' ' ' LEU . 2.3 mtt180 -137.48 156.1 48.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.513 HD11 ' CB ' ' A' ' 78' ' ' ARG . 2.4 tm? -119.78 117.22 27.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.862 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 9.8 m95 -91.31 139.5 30.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 107.996 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.575 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.7 tt0 -99.88 120.79 40.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.035 HD12 HD21 ' A' ' 101' ' ' LEU . 8.8 mm -60.43 95.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.394 1.059 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -52.78 -47.45 67.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.616 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -173.55 135.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.617 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 24.5 t-80 -127.43 115.67 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.612 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.578 HD22 ' CD2' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -150.55 177.57 9.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.491 ' CE ' ' HG3' ' A' ' 99' ' ' GLN . 5.5 ttm -128.08 139.42 52.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 111.028 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 98' ' ' VAL . 77.1 t -145.64 141.85 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 47.5 39.09 8.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.36 26.12 72.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.482 ' CG1' ' OE1' ' A' ' 47' ' ' GLN . 2.0 t -128.81 132.77 67.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.491 ' HG3' ' CE ' ' A' ' 94' ' ' MET . 6.2 mt-30 -97.44 118.07 33.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 110.307 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.574 ' HG2' HD21 ' A' ' 102' ' ' LEU . 42.8 tt0 -108.07 104.38 13.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.035 HD21 HD12 ' A' ' 89' ' ' ILE . 2.2 tt -100.17 120.13 39.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.616 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.5 mt -96.35 120.37 36.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.222 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.811 HD12 HG21 ' A' ' 46' ' ' VAL . 14.8 mt -110.7 130.9 55.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.575 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -119.27 131.31 55.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.862 HD22 ' CZ2' ' A' ' 87' ' ' TRP . 24.7 tp -110.19 123.58 50.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.1 mm? . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.01 173.87 13.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.1 Cg_endo -75.07 93.85 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -41.64 -30.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.742 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -150.6 148.33 28.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.594 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 59.5 mt -128.9 147.57 50.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.742 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.0 m0 -131.74 111.65 11.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 107.941 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.6 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 8.0 p -71.43 120.1 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.451 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.8 t-160 -116.2 -34.31 4.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.58 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.24 161.25 29.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.599 ' O ' HD12 ' A' ' 22' ' ' ILE . 13.2 tt0 -54.94 111.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 71.96 27.96 69.54 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 20' ' ' GLU . 2.2 mp -128.25 157.76 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.0 m-85 -154.06 148.06 25.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -104.17 131.68 51.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -80.82 178.84 8.13 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.424 1.078 . . . . 0.0 109.339 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.48 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 14.4 pt-20 -91.73 19.01 6.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.48 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 16.1 m-85 -147.18 38.31 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 57.79 44.2 20.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -120.27 113.79 20.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.2 p -77.8 143.18 38.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.812 ' HB3' HG12 ' A' ' 46' ' ' VAL . 58.5 m95 -126.57 157.68 38.21 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.896 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -124.83 98.46 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.19 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -84.53 111.36 19.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.432 HG11 ' NH2' ' A' ' 45' ' ' ARG . 69.2 t -100.31 98.52 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.645 HG21 ' OE1' ' A' ' 66' ' ' GLN . 7.6 p -67.47 124.12 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.695 ' C ' HD22 ' A' ' 42' ' ' LEU . 3.5 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.475 0.179 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.695 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.8 mm? -124.81 84.27 2.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.516 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 7.1 ttp180 -97.8 116.53 30.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.443 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -109.23 87.13 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.452 ' CG ' HD22 ' A' ' 102' ' ' LEU . 6.5 ttm180 -63.82 106.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.812 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.3 t -93.26 110.43 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.529 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.0 OUTLIER -108.61 127.05 53.62 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.475 ' O ' HG13 ' A' ' 98' ' ' VAL . 1.3 tm0? -85.44 120.31 26.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.286 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.896 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -154.32 163.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.459 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -87.69 114.07 23.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.645 ' OE1' HG21 ' A' ' 35' ' ' VAL . 58.9 mt-30 -126.35 -60.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.8 mp -67.05 141.87 96.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.652 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -75.05 169.02 23.52 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.513 1.797 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.842 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -74.91 -22.4 58.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.585 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 2.3 ttt -157.75 144.01 17.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.51 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.6 m0 -109.05 155.38 20.99 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -136.7 95.68 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.846 HD13 ' HE1' ' A' ' 79' ' ' TYR . 11.6 tp -46.81 116.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.597 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -102.46 -177.74 0.58 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.05 -176.88 3.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.502 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.2 OUTLIER 70.31 -79.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.539 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 6.7 tt0 167.15 54.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.651 ' HB2' HD21 ' A' ' 86' ' ' LEU . 26.5 mtt85 -153.47 164.6 37.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.846 ' HE1' HD13 ' A' ' 73' ' ' LEU . 2.2 m-30 -111.65 125.62 54.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 111.027 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.597 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -100.77 116.1 31.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 111.032 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -87.02 -173.24 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -106.97 1.91 24.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.8 t-20 -82.53 1.21 39.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.7 OUTLIER 81.68 40.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.531 ' HB3' HD11 ' A' ' 105' ' ' LEU . 13.2 mmt85 -144.26 160.97 40.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.651 HD21 ' HB2' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -126.87 111.18 13.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.735 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 8.4 m95 -86.22 135.45 33.56 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.585 1.178 . . . . 0.0 107.918 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 104' ' ' LYS . 1.8 tt0 -93.76 118.33 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.256 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.099 HD12 HD21 ' A' ' 101' ' ' LEU . 9.6 mm -58.85 90.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -45.77 52.89 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.607 ' CE1' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.48 140.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.585 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 22.5 t-80 -135.77 113.93 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.576 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.519 HD21 ' CD2' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -153.65 -171.37 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.357 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.7 ttm -121.57 129.11 52.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' VAL . 39.7 t -132.74 138.76 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 47.41 39.85 9.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.13 26.48 71.53 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.529 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.2 t -133.61 132.84 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -83.89 115.62 22.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.594 ' HG2' HD21 ' A' ' 102' ' ' LEU . 33.1 tt0 -107.53 107.31 18.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.099 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -101.88 121.98 43.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.607 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 2.9 mt -97.73 122.93 41.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.711 HD12 HG21 ' A' ' 46' ' ' VAL . 16.7 mt -113.9 127.54 56.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.362 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -117.05 127.27 53.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.735 HD22 ' CZ2' ' A' ' 87' ' ' TRP . 21.6 tp -107.1 115.96 31.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.929 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.697 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.93 174.02 13.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.444 1.76 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.523 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -74.99 96.5 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.568 1.825 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -43.77 -28.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.793 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -152.89 149.49 28.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.589 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.513 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 70.1 mt -129.57 145.82 51.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.793 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.3 m0 -130.44 110.87 11.79 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.771 HG12 HD13 ' A' ' 69' ' ' LEU . 7.2 p -71.9 121.18 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.456 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.7 t-160 -118.5 -33.3 4.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 109.595 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -124.44 165.32 17.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.29 109.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.1 30.11 65.78 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.436 1.085 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.1 mp -125.51 160.63 31.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 109.263 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.0 m-85 -155.35 142.71 19.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -99.17 132.6 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 23.6 t0 -84.54 178.62 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -89.78 24.63 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.538 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 11.4 m-85 -156.34 48.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.158 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.538 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 12.4 pt20 48.38 42.51 18.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.342 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.47 HH21 HE21 ' A' ' 28' ' ' GLN . 0.0 OUTLIER -116.8 110.73 18.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.415 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 2.1 p -78.84 140.25 38.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.819 ' HB3' HG12 ' A' ' 46' ' ' VAL . 49.8 m95 -122.68 155.92 35.44 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.962 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -122.95 95.19 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -79.58 105.35 10.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.414 HG23 HG12 ' A' ' 32' ' ' VAL . 75.7 t -93.68 92.06 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 35' ' ' VAL . 7.6 p -60.17 111.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.401 ' C ' HD22 ' A' ' 42' ' ' LEU . 12.5 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.468 0.175 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.401 HD22 ' C ' ' A' ' 41' ' ' PHE . 4.2 mm? -115.31 102.88 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 25.2 ttp85 -104.26 117.68 34.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.416 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -108.34 90.44 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.473 ' CG ' HD22 ' A' ' 102' ' ' LEU . 3.6 ttm180 -68.13 107.48 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.819 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.7 t -95.09 111.3 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.4 tt0 -114.3 130.29 56.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.538 ' O ' HG13 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -87.77 125.83 34.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.356 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.962 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -148.74 161.85 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.533 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -81.16 110.25 16.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 50' ' ' GLN . 21.3 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -128.77 -65.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 67' ' ' LEU . 4.2 mp -65.91 140.34 97.14 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.92 172.45 16.31 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.441 1.758 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.771 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -78.74 -22.34 46.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.563 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -156.43 141.92 17.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.506 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -108.17 158.81 17.11 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -140.7 101.69 4.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 0.0 110.25 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 74' ' ' TYR . 3.7 tp -51.04 121.37 5.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.619 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -109.04 -177.17 0.45 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.582 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.99 -177.73 3.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.567 1.825 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 1.0 OUTLIER 70.56 -77.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 76' ' ' GLU . 6.5 pt-20 164.65 50.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.611 ' HB2' HD21 ' A' ' 86' ' ' LEU . 7.3 mtp180 -147.86 161.25 41.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.646 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.3 m-30 -107.89 125.81 51.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.573 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -100.52 115.26 29.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' A' ' 81' ' ' ASP . 33.8 p30 -82.78 -174.79 5.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -107.91 -3.06 19.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 84' ' ' SER . 36.7 t30 -80.08 -3.01 46.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 88.3 39.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.059 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.713 ' HD3' HD21 ' A' ' 105' ' ' LEU . 1.4 mtp180 -142.68 151.85 41.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.107 . . . . 0.0 110.283 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -119.78 115.1 23.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.688 ' CE2' HD22 ' A' ' 105' ' ' LEU . 8.6 m95 -90.55 137.98 31.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 108.063 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 90' ' ' GLN . 4.6 tt0 -94.19 118.87 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.064 HD12 HD21 ' A' ' 101' ' ' LEU . 10.3 mm -57.33 89.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.4 OUTLIER -48.95 -46.96 44.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.605 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -173.18 139.65 0.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.649 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.697 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 24.8 t-80 -135.62 112.28 10.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.616 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.538 HD13 HG23 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -153.93 -172.44 4.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 2.3 ttm -110.44 124.16 51.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 111.041 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.538 HG23 HD13 ' A' ' 93' ' ' LEU . 14.9 t -125.62 129.5 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 48.28 37.34 8.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.245 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 68.37 24.63 74.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.2 t -133.22 108.84 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.439 0.729 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.634 ' HG3' ' CH2' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -61.15 112.82 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.511 ' HG2' HD21 ' A' ' 102' ' ' LEU . 31.1 tt0 -105.83 117.61 34.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.064 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -107.27 122.96 47.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.365 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.588 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 3.0 mt -99.71 122.5 42.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.6 HD12 HG21 ' A' ' 46' ' ' VAL . 21.4 mt -111.83 130.46 55.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.34 119.14 32.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.713 HD21 ' HD3' ' A' ' 85' ' ' ARG . 13.2 tp -95.57 118.89 33.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.606 1.191 . . . . 0.0 109.312 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.576 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.03 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.783 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.6 Cg_endo -74.91 94.69 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 3.4 t70 -42.82 -28.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.787 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.24 149.38 29.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.492 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 63.5 mt -130.36 147.1 52.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.787 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.0 m0 -131.55 110.61 11.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.602 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.9 p -70.17 118.64 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.287 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.4 t60 -113.89 -32.06 6.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.03 156.21 44.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -54.24 110.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 76.03 29.32 59.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.127 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.1 mp -136.41 154.37 32.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.602 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.4 m-85 -148.05 151.52 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.81 133.81 49.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.1 -176.72 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -96.87 17.08 17.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -142.86 30.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 65.44 43.65 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.449 ' HG2' ' NE2' ' A' ' 48' ' ' GLN . 3.0 mtt-85 -119.63 115.84 24.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 12.1 p -78.04 146.19 35.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 110.334 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.829 ' HB3' HG12 ' A' ' 46' ' ' VAL . 59.2 m95 -128.94 157.47 41.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 107.996 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.915 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -122.47 96.67 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -82.22 111.18 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.699 HG11 ' NH2' ' A' ' 45' ' ' ARG . 65.1 t -100.24 85.27 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 35' ' ' VAL . 11.9 p -52.8 108.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.408 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.1 m-85 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.5 0.19 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 41' ' ' PHE . 13.0 mt -126.38 128.53 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 11.6 ttp85 -130.3 125.7 35.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.01 88.11 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.699 ' NH2' HG11 ' A' ' 34' ' ' VAL . 6.1 ttm180 -66.81 108.2 2.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.281 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.829 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -95.54 111.15 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.523 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.1 tt0 -108.02 128.01 54.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.493 ' OE1' ' CE2' ' A' ' 31' ' ' TRP . 12.1 tp60 -86.67 121.98 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.366 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.915 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -155.49 161.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -89.22 105.86 18.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -133.35 -56.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.579 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.9 mp -66.06 142.53 98.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.0 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.669 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -85.92 -4.92 59.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.709 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 3.6 ttp -173.76 139.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.46 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.8 m0 -108.36 155.55 20.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 108.057 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -137.71 98.07 3.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.777 HD13 ' HE1' ' A' ' 79' ' ' TYR . 11.8 tp -49.36 112.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.74 -177.45 0.61 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.91 169.56 22.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER 82.92 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.6 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 1.1 tt0 164.48 56.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -152.67 165.67 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.777 ' HE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-30 -114.56 126.64 55.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.559 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 1.3 ttt -99.56 121.73 41.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.486 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 26.2 p-10 -74.66 -168.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -117.11 -1.04 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.633 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.0 t-20 -81.39 -50.95 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 3.5 t 146.91 41.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.913 ' HB3' HD11 ' A' ' 105' ' ' LEU . 7.5 mtm-85 -148.08 160.17 43.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 79' ' ' TYR . 1.5 tt -124.14 118.63 27.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.372 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.97 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.2 m95 -91.18 137.9 32.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 108.052 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.8 tt0 -95.12 125.88 40.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.06 HD12 HD21 ' A' ' 101' ' ' LEU . 5.6 mm -65.05 92.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -45.6 70.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.6 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -171.99 141.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.657 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 22.6 t-80 -137.72 114.13 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.4 -170.76 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.2 ttm -130.12 130.48 44.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.5 t -135.28 140.3 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 47.53 39.78 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.32 26.11 71.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.523 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.2 t -129.94 133.82 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -91.18 114.68 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.617 ' HG2' HD21 ' A' ' 102' ' ' LEU . 31.2 tt0 -105.69 106.56 17.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.06 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -102.14 122.41 44.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.617 HD21 ' HG2' ' A' ' 100' ' ' GLU . 2.9 mt -98.74 124.46 43.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.736 HD12 HG21 ' A' ' 46' ' ' VAL . 10.0 mt -113.75 130.63 56.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.0 tppt? -119.72 124.68 46.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.97 HD13 ' CD1' ' A' ' 87' ' ' TRP . 47.2 tp -102.53 136.1 42.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 3' ' ' MET . 44.5 t -121.72 -41.25 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.985 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.465 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 78.43 82.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.943 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 162.22 10.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.66 -132.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 7' ' ' ASP . 2.1 tp10 -159.2 138.53 11.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.274 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 26.5 m-20 -87.88 167.48 13.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 94' ' ' MET . 34.5 t -42.32 162.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.43 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -81.33 -66.25 1.62 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.32 141.27 8.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.576 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.03 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.783 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.6 Cg_endo -74.91 94.69 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 3.4 t70 -42.82 -28.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.787 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.24 149.38 29.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.492 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 63.5 mt -130.36 147.1 52.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.787 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.0 m0 -131.55 110.61 11.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.602 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.9 p -70.17 118.64 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.287 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.498 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 1.4 t60 -113.89 -32.06 6.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.03 156.21 44.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.431 ' HA ' ' HB3' ' A' ' 60' ' ' SER . 9.6 tt0 -54.24 110.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 76.03 29.32 59.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.127 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.1 mp -136.41 154.37 32.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.602 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.4 m-85 -148.05 151.52 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.81 133.81 49.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.1 -176.72 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -96.87 17.08 17.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -142.86 30.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 65.44 43.65 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.449 ' HG2' ' NE2' ' A' ' 48' ' ' GLN . 3.0 mtt-85 -119.63 115.84 24.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 12.1 p -78.04 146.19 35.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 110.334 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.829 ' HB3' HG12 ' A' ' 46' ' ' VAL . 59.2 m95 -128.94 157.47 41.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 107.996 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.915 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -122.47 96.67 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -82.22 111.18 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.699 HG11 ' NH2' ' A' ' 45' ' ' ARG . 65.1 t -100.24 85.27 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 35' ' ' VAL . 11.9 p -52.8 108.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -116.38 88.98 3.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -48.02 120.54 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -80.3 162.7 24.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.245 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.6 m -49.45 -36.16 21.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.358 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.78 39.49 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.187 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.408 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.1 m-85 -163.86 -172.49 2.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 41' ' ' PHE . 13.0 mt -126.38 128.53 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 11.6 ttp85 -130.3 125.7 35.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.01 88.11 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.699 ' NH2' HG11 ' A' ' 34' ' ' VAL . 6.1 ttm180 -66.81 108.2 2.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.281 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.829 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -95.54 111.15 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.523 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.1 tt0 -108.02 128.01 54.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.493 ' OE1' ' CE2' ' A' ' 31' ' ' TRP . 12.1 tp60 -86.67 121.98 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.366 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.915 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -155.49 161.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -89.22 105.86 18.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 19.4 m -143.59 142.21 20.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.98 131.01 13.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.453 HD22 ' CG ' ' A' ' 18' ' ' HIS . 2.3 mt -75.86 113.29 13.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.94 -108.24 0.18 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.498 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 0.6 OUTLIER -65.53 -175.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.259 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -160.01 64.45 0.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.06 -141.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.528 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 2.8 mtt180 -136.62 58.14 18.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -74.92 -42.69 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.783 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.431 ' HB3' ' HA ' ' A' ' 20' ' ' GLU . 9.9 p -65.17 -40.89 94.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.472 ' O ' ' CB ' ' A' ' 65' ' ' SER . 11.1 m170 -70.91 -30.59 66.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 tt -80.85 -38.59 27.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.86 -69.43 0.6 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.51 HG21 HG21 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -72.67 -59.46 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.407 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 5.1 p 65.07 52.96 1.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -133.35 -56.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.579 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.9 mp -66.06 142.53 98.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.0 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.669 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -85.92 -4.92 59.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.709 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 3.6 ttp -173.76 139.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.46 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.8 m0 -108.36 155.55 20.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 108.057 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -137.71 98.07 3.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.777 HD13 ' HE1' ' A' ' 79' ' ' TYR . 11.8 tp -49.36 112.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.74 -177.45 0.61 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.91 169.56 22.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER 82.92 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.6 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 1.1 tt0 164.48 56.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -152.67 165.67 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.777 ' HE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-30 -114.56 126.64 55.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.559 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 1.3 ttt -99.56 121.73 41.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.486 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 26.2 p-10 -74.66 -168.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -117.11 -1.04 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.633 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.0 t-20 -81.39 -50.95 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 3.5 t 146.91 41.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.913 ' HB3' HD11 ' A' ' 105' ' ' LEU . 7.5 mtm-85 -148.08 160.17 43.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 79' ' ' TYR . 1.5 tt -124.14 118.63 27.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.372 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.97 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.2 m95 -91.18 137.9 32.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 108.052 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.8 tt0 -95.12 125.88 40.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.06 HD12 HD21 ' A' ' 101' ' ' LEU . 5.6 mm -65.05 92.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -45.6 70.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.6 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -171.99 141.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.657 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 22.6 t-80 -137.72 114.13 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.4 -170.76 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.503 ' HB2' HG22 ' A' ' 8' ' ' VAL . 4.2 ttm -130.12 130.48 44.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.5 t -135.28 140.3 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 47.53 39.78 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.32 26.11 71.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.523 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.2 t -129.94 133.82 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -91.18 114.68 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.617 ' HG2' HD21 ' A' ' 102' ' ' LEU . 31.2 tt0 -105.69 106.56 17.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.06 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -102.14 122.41 44.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.617 HD21 ' HG2' ' A' ' 100' ' ' GLU . 2.9 mt -98.74 124.46 43.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.736 HD12 HG21 ' A' ' 46' ' ' VAL . 10.0 mt -113.75 130.63 56.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.0 tppt? -119.72 124.68 46.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.97 HD13 ' CD1' ' A' ' 87' ' ' TRP . 47.2 tp -102.53 136.1 42.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.14 160.18 61.09 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 108' ' ' ASP . 18.4 Cg_endo -74.94 73.72 4.2 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 107' ' ' PRO . 21.9 t0 40.12 90.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.0 OUTLIER -38.89 119.52 0.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 109' ' ' ASP . 1.7 mtt-85 -35.11 129.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.1 131.1 59.64 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 141.46 26.54 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -131.87 136.47 8.79 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.576 ' O ' HG23 ' A' ' 114' ' ' ILE . 1.2 tt -61.03 99.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 0.79 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -88.62 113.04 23.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.614 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.88 99.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.242 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 p -138.49 -63.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 0.728 . . . . 0.0 110.05 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.3 ttm 71.27 78.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.61 154.49 39.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.61 -134.46 3.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -157.9 138.77 13.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 0.801 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -148.72 155.28 40.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.647 HG12 ' H ' ' A' ' 9' ' ' GLY . 3.1 t -54.46 175.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.647 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -123.33 -60.96 0.19 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.2 129.62 7.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.774 . . . . 0.0 109.242 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.544 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.04 174.54 12.61 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.511 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -74.99 89.76 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.495 1.787 . . . . 0.0 110.942 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.445 ' HA ' ' CB ' ' A' ' 73' ' ' LEU . 35.2 t70 -41.87 -29.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.727 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -147.98 149.61 32.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.558 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.468 HD22 ' HB3' ' A' ' 23' ' ' TYR . 58.6 mt -130.99 148.11 52.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.727 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -132.72 115.14 14.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.6 1.188 . . . . 0.0 108.023 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.843 HG12 HD13 ' A' ' 69' ' ' LEU . 8.2 p -74.13 121.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.343 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.505 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 1.8 t-160 -117.02 -36.29 3.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 109.618 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -128.48 161.5 29.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.663 ' O ' HD12 ' A' ' 22' ' ' ILE . 23.3 mt-10 -50.7 113.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 66.06 21.88 70.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.663 HD12 ' O ' ' A' ' 20' ' ' GLU . 1.2 mp -119.63 140.41 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.318 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.583 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.3 m-85 -136.3 152.26 50.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -110.16 132.77 53.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.377 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 26' ' ' GLU . 12.7 t0 -80.55 -176.88 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.491 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 6.1 pt-20 -95.84 19.14 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.258 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -146.43 31.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.396 1.06 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 65.84 41.7 3.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.45 116.05 26.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.49 ' N ' HE22 ' A' ' 48' ' ' GLN . 13.6 p -79.4 145.33 33.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.891 ' HB3' HG12 ' A' ' 46' ' ' VAL . 62.5 m95 -130.67 145.18 51.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 108.017 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.971 ' CG2' HD11 ' A' ' 49' ' ' ILE . 24.4 t -112.67 91.28 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -73.97 105.25 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 34' ' ' VAL . 62.8 t -91.16 76.49 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 p -44.49 111.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.72 93.36 3.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.16 118.75 5.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.55 162.67 29.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.3 m -47.72 -34.61 8.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 110.468 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.83 37.38 0.41 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.021 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.531 ' CE1' HD12 ' A' ' 106' ' ' LEU . 10.5 m-85 -162.04 -176.62 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 41' ' ' PHE . 2.4 mp -114.14 141.87 46.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.476 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 8.6 ttp180 -151.62 117.07 5.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.84 95.77 5.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.419 ' HD3' ' OE2' ' A' ' 100' ' ' GLU . 2.6 ttm180 -70.14 106.17 3.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.891 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -93.54 104.16 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.61 ' O ' HD13 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -105.04 133.1 50.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.347 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.49 HE22 ' N ' ' A' ' 30' ' ' THR . 24.3 tp60 -87.97 122.88 32.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.971 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -147.47 165.16 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.91 77.9 7.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.2 m -115.73 131.34 23.73 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 169.87 21.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.771 . . . . 0.0 111.067 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.408 HD23 HG21 ' A' ' 22' ' ' ILE . 1.1 mp -133.95 146.64 50.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.23 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.412 ' O ' ' CG ' ' A' ' 55' ' ' ASP . . . -161.1 29.56 0.31 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.441 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.5 OUTLIER -168.95 103.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 0.726 . . . . 0.0 109.333 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.505 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . . . -106.64 37.02 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.9 -153.5 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.546 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -137.22 56.36 12.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.546 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.0 Cg_endo -75.15 -72.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.412 1.743 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.409 ' HA ' ' CB ' ' A' ' 63' ' ' LEU . 34.5 t -68.53 -19.83 64.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.428 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 7.1 m170 -57.61 -42.09 82.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.654 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.92 -21.98 17.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.367 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.409 ' CB ' ' HA ' ' A' ' 60' ' ' SER . 0.3 OUTLIER -68.7 -63.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 109.269 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.5 m -64.48 -62.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.4 p 69.0 39.89 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.97 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -129.19 -62.58 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.4 mp -69.23 142.08 92.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.688 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.5 Cg_endo -74.95 166.39 29.33 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.811 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.843 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -73.63 -20.63 60.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.594 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 2.9 ttp -159.3 141.03 13.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.488 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -106.54 158.14 17.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 107.974 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -139.6 101.84 4.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.091 . . . . 0.0 110.26 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.628 HD12 ' N ' ' A' ' 74' ' ' TYR . 4.3 tp -48.37 122.34 5.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.628 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -122.79 174.76 3.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.577 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.03 166.45 29.14 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER 80.87 12.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 63.35 53.33 2.2 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.556 ' HB2' HD21 ' A' ' 86' ' ' LEU . 21.9 mtp180 -148.79 155.81 41.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.798 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.4 m-30 -106.32 126.22 51.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.588 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -99.24 117.59 34.04 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.515 1.134 . . . . 0.0 111.042 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.439 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 30.1 p30 -85.52 -172.11 3.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -110.94 -1.84 16.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 84' ' ' SER . 22.3 t30 -80.04 -4.16 51.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.8 OUTLIER 90.2 36.42 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.834 ' HB3' HD11 ' A' ' 105' ' ' LEU . 1.2 mtt85 -144.61 147.9 33.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.369 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 79' ' ' TYR . 1.6 tt -114.98 119.9 38.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.841 ' CD1' HD13 ' A' ' 105' ' ' LEU . 7.6 m95 -91.41 142.53 27.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' LYS . 4.5 tt0 -97.36 124.36 41.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.06 HD12 HD21 ' A' ' 101' ' ' LEU . 20.6 mm -62.74 87.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -48.58 -47.05 39.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.595 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -172.72 144.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.641 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.638 ' CE1' HG11 ' A' ' 8' ' ' VAL . 26.2 t-80 -139.94 110.92 6.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.596 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.517 HD21 ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -143.18 -169.51 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.466 ' HE2' ' C ' ' A' ' 97' ' ' GLY . 4.3 ttm -135.99 132.27 36.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 98' ' ' VAL . 60.2 t -139.35 138.42 40.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 48.38 40.62 15.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.263 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.466 ' C ' ' HE2' ' A' ' 94' ' ' MET . . . 65.73 16.64 63.85 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.552 1.157 . . . . 0.0 111.038 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.476 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.1 t -117.64 134.74 60.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.406 0.709 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.448 ' NE2' HG13 ' A' ' 8' ' ' VAL . 3.6 mt-30 -96.94 119.11 34.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.261 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.587 ' HG2' HD21 ' A' ' 102' ' ' LEU . 29.5 tt0 -109.74 105.18 14.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 110.372 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.06 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -101.46 123.79 46.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.593 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 3.0 mt -98.08 125.54 43.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.769 HD12 HG21 ' A' ' 46' ' ' VAL . 19.8 mt -117.37 124.33 48.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -113.04 128.17 56.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.841 HD13 ' CD1' ' A' ' 87' ' ' TRP . 37.8 tp -107.24 120.11 41.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.531 HD12 ' CE1' ' A' ' 41' ' ' PHE . 3.0 mm? -94.15 147.2 32.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 106' ' ' LEU . 18.4 Cg_endo -75.01 131.95 14.86 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.56 80.81 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.74 152.18 48.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.12 152.56 51.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.68 130.14 0.15 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 76.69 3.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -79.32 -127.45 0.57 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 114' ' ' ILE . 15.5 mm -134.58 149.67 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.471 ' CD2' ' HB2' ' A' ' 116' ' ' ARG . 4.2 t60 -136.85 144.74 43.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 109.569 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.471 ' HB2' ' CD2' ' A' ' 115' ' ' HIS . 0.0 OUTLIER 68.69 141.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 m -158.33 102.25 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 0.0 109.966 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.16 131.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 6' ' ' GLU . . . -159.81 110.64 1.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.65 -65.75 0.29 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' ALA . 4.7 tp10 64.66 146.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 110.34 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -142.75 153.25 43.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.636 HG22 ' CB ' ' A' ' 94' ' ' MET . 17.3 t -77.1 171.88 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.541 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -110.09 -57.93 0.51 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.52 133.86 4.81 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.56 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.06 173.9 13.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.507 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.5 Cg_endo -74.94 93.84 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -44.92 -26.49 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.796 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.88 148.03 27.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.58 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 68.6 mt -129.96 145.74 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.361 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.796 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -131.01 111.84 12.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.675 HG12 HD13 ' A' ' 69' ' ' LEU . 9.4 p -71.68 119.16 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.466 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 2.0 t60 -113.54 -29.44 7.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.604 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -135.65 158.93 43.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' CB ' ' HB2' ' A' ' 60' ' ' SER . 6.1 tt0 -52.4 111.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.59 21.57 79.48 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 17' ' ' VAL . 1.1 mp -125.11 140.28 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.583 0.814 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.598 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.1 m-85 -137.25 153.0 50.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.946 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -109.16 132.2 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -80.94 -177.39 6.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 7.6 pt-20 -95.62 24.96 4.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.262 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -150.72 26.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 70.09 41.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.28 115.09 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.498 ' CG2' HD11 ' A' ' 53' ' ' LEU . 1.6 p -82.22 134.05 35.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 0.0 110.393 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.834 ' HB3' HG12 ' A' ' 46' ' ' VAL . 49.2 m95 -115.55 154.47 29.32 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.842 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.3 t -116.82 93.86 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -79.1 110.77 14.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.412 HG11 ' NH2' ' A' ' 45' ' ' ARG . 73.2 t -99.7 81.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.475 HG21 HG21 ' A' ' 64' ' ' THR . 5.1 p -47.11 109.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -116.02 93.53 4.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.81 99.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' CB ' ' HB2' ' A' ' 41' ' ' PHE . 5.8 mm-40 -57.17 161.81 2.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.8 m -47.96 -33.52 7.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -155.62 38.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.656 ' C ' HD22 ' A' ' 42' ' ' LEU . 12.0 m-85 -158.9 -178.23 7.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.656 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.7 mm? -121.92 97.89 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 19.3 ttp180 -104.76 125.08 50.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.63 92.54 3.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.412 ' NH2' HG11 ' A' ' 34' ' ' VAL . 5.0 ttm180 -67.99 109.34 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.834 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.5 t -98.16 111.95 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.379 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.633 ' HG2' HD12 ' A' ' 49' ' ' ILE . 2.4 tt0 -108.26 130.38 55.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 30' ' ' THR . 6.3 tp-100 -87.11 124.79 33.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.842 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -153.05 161.44 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -93.18 94.0 8.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 33.4 m -136.02 138.41 27.53 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.1 Cg_endo -75.11 123.0 7.5 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.425 1.75 . . . . 0.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.498 HD11 ' CG2' ' A' ' 30' ' ' THR . 2.6 mp -62.94 107.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.76 -118.74 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.466 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 56.5 m-20 -63.03 -172.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 0.716 . . . . 0.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.97 59.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.66 -153.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.519 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 1.4 mtt85 -138.4 57.98 13.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.519 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.2 Cg_endo -74.97 -50.62 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.491 ' HB2' ' CB ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -66.56 -36.16 81.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.61 1.194 . . . . 0.0 110.0 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 0.5 OUTLIER -64.53 -37.28 87.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.628 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 62' ' ' LEU . 2.6 mm? -83.99 -36.59 23.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 tt -74.41 -69.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.533 HG22 ' HG2' ' A' ' 66' ' ' GLN . 21.9 m -70.08 -68.73 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p 72.4 40.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.533 ' HG2' HG22 ' A' ' 64' ' ' THR . 16.1 mm-40 -117.43 -60.28 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.243 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.8 mp -66.01 141.49 97.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.643 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -74.94 171.33 18.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.073 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.675 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -77.39 -17.6 58.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.493 ' HG2' ' N ' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -162.01 145.74 12.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.493 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.6 m0 -111.53 154.44 24.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' MET . 3.2 tp60 -134.12 96.19 3.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.907 HD13 ' CE1' ' A' ' 79' ' ' TYR . 12.2 tp -47.88 116.21 1.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.574 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -99.96 -179.16 0.78 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.6 Cg_endo -74.92 171.86 17.46 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 1.8 tm-20 77.51 -76.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.423 ' HB3' ' O ' ' A' ' 76' ' ' GLU . 9.4 pt-20 167.72 56.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.644 ' HD2' HD11 ' A' ' 86' ' ' LEU . 2.2 mtt180 -149.61 163.56 37.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.576 1.172 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.907 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-85 -117.2 120.57 38.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.574 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -95.9 124.29 39.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.444 ' OD1' ' CD1' ' A' ' 87' ' ' TRP . 2.3 p30 -92.91 176.9 6.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.374 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -100.26 -1.55 36.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 84' ' ' SER . 10.1 t-20 -78.34 -1.59 34.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.5 OUTLIER 85.62 41.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.054 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.769 ' HD3' HD21 ' A' ' 105' ' ' LEU . 42.0 mtt-85 -145.55 156.91 44.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.644 HD11 ' HD2' ' A' ' 78' ' ' ARG . 2.0 tm? -121.49 116.62 25.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.711 ' CE2' HD22 ' A' ' 105' ' ' LEU . 8.1 m95 -94.84 140.91 29.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 107.954 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.7 tt0 -101.27 124.61 47.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.006 HD12 HD21 ' A' ' 101' ' ' LEU . 16.4 mm -62.59 94.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -51.65 -48.61 63.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.232 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.649 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -174.01 130.5 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.633 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.571 ' CE1' HG11 ' A' ' 8' ' ' VAL . 26.1 t-80 -121.36 112.06 18.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.583 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.6 HD22 ' CD2' ' A' ' 91' ' ' HIS . 0.5 OUTLIER -145.13 177.21 8.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.636 ' CB ' HG22 ' A' ' 8' ' ' VAL . 3.2 ttm -125.35 130.32 51.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.6 t -134.46 140.3 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 48.05 38.43 9.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.11 23.9 73.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.584 1.177 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 95' ' ' VAL . 2.1 t -126.45 129.66 71.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.437 ' NE2' HG13 ' A' ' 8' ' ' VAL . 38.1 mt-30 -89.53 116.06 27.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.578 ' HG2' HD21 ' A' ' 102' ' ' LEU . 27.1 tt0 -106.93 103.68 13.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.006 HD21 HD12 ' A' ' 89' ' ' ILE . 2.2 tt -99.26 121.06 40.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.649 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.6 mt -97.41 120.19 37.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.685 HD12 HG21 ' A' ' 46' ' ' VAL . 17.0 mt -109.97 131.26 55.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.082 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.2 OUTLIER -120.76 130.17 53.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.769 HD21 ' HD3' ' A' ' 85' ' ' ARG . 20.8 tp -107.65 121.89 45.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 5.5 mp -96.16 146.58 31.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 106' ' ' LEU . 18.3 Cg_endo -75.03 121.16 6.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.2 89.0 1.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.2 t70 59.77 96.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 109' ' ' ASP . 4.9 mtp180 -35.58 131.38 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.215 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.4 p -111.61 99.02 43.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 139.36 24.31 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.69 123.69 1.84 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.568 1.168 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.7 mp -130.92 152.79 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 109.36 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -176.25 119.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.597 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -149.15 137.08 20.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.1 t0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.77 -58.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 110.07 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.49 76.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.86 150.62 48.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 54.15 100.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.432 1.082 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -166.85 129.28 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.339 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.435 ' HA ' ' HB3' ' A' ' 94' ' ' MET . 5.2 m-20 -69.41 154.52 41.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 94' ' ' MET . 36.5 t -43.59 161.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.414 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -153.82 21.95 0.7 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.556 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -160.47 87.89 1.81 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.573 0.808 . . . . 0.0 109.323 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.654 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.91 173.56 14.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.422 1.749 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.526 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.2 Cg_endo -74.96 95.22 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.544 1.813 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -42.57 -28.11 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.793 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -153.2 146.58 24.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.654 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 58.6 mt -127.52 145.34 50.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.793 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.1 m0 -130.08 112.34 13.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 108.042 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.606 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.9 p -72.14 118.5 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.461 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.7 t-160 -115.43 -32.9 5.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.637 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.463 ' HB2' ' CG2' ' A' ' 22' ' ' ILE . 1.8 mt-30 -128.72 159.76 34.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.225 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.518 ' CG ' ' HB3' ' A' ' 60' ' ' SER . 0.9 OUTLIER -53.52 109.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 73.26 17.36 78.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.477 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -119.99 140.53 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.406 0.709 . . . . 0.0 109.266 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.9 m-85 -135.84 153.72 51.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' HD2' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -108.7 134.45 51.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.428 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 24.5 t0 -87.29 -179.03 6.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -91.68 20.71 5.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.546 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 6.4 m-85 -148.59 45.15 1.03 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 7.4 pt20 48.14 45.79 19.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HB2' ' HB3' ' A' ' 25' ' ' ASP . 0.3 OUTLIER -124.51 113.63 18.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.575 ' CG2' HD11 ' A' ' 53' ' ' LEU . 12.7 p -74.18 151.15 40.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.808 ' HB3' HG12 ' A' ' 46' ' ' VAL . 51.4 m95 -132.13 144.93 51.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 108.008 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.861 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.3 t -109.29 93.51 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.357 1.036 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -81.91 92.54 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.599 HG23 HG12 ' A' ' 32' ' ' VAL . 73.1 t -82.34 92.29 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 35' ' ' VAL . 11.0 p -53.72 109.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.13 88.0 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.234 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.28 122.12 6.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.32 164.02 26.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 m -49.05 -37.88 22.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.414 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -150.77 37.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.044 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.624 ' O ' HD12 ' A' ' 42' ' ' LEU . 28.9 m-85 -161.0 -171.19 2.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 41' ' ' PHE . 3.5 mp -118.63 141.86 48.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 44' ' ' ALA . 12.5 ttp180 -151.55 147.45 26.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.477 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -139.81 103.52 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -74.26 107.19 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.808 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -92.93 109.33 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.738 ' HG2' HD12 ' A' ' 49' ' ' ILE . 1.2 tt0 -111.93 130.25 55.9 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.501 ' O ' HG13 ' A' ' 98' ' ' VAL . 0.8 OUTLIER -87.3 121.32 29.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.861 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -146.66 163.22 8.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -86.09 101.37 12.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 52' ' ' PRO . 8.2 p -143.27 140.61 17.92 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -75.04 169.85 21.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.575 HD11 ' CG2' ' A' ' 30' ' ' THR . 0.7 OUTLIER -131.69 159.63 37.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.14 -69.93 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.459 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 1.4 m-20 -65.14 114.99 5.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 109.332 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 18' ' ' HIS . . . -118.38 41.93 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.55 -148.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -132.52 65.01 73.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.434 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.96 -88.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.461 1.769 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.518 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.2 p -48.2 -25.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.489 ' CE1' HD21 ' A' ' 69' ' ' LEU . 6.5 m170 -63.56 -46.54 85.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.604 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.69 -20.88 21.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.593 1.183 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -83.22 -67.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 60' ' ' SER . 2.9 m -76.04 -54.71 6.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.3 p 58.43 39.96 24.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -120.2 -55.44 2.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.0 mp -71.72 145.3 89.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.649 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -74.92 172.21 16.79 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.449 1.762 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.514 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -80.06 -10.4 59.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.556 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 3.6 tmm? -170.32 143.35 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.477 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.7 m0 -109.55 155.38 21.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 107.994 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -137.03 106.36 6.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.392 1.057 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 74' ' ' TYR . 1.9 tp -55.41 112.8 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.368 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.605 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -101.68 -176.91 0.5 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.572 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.01 -175.53 2.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 5.9 mm-40 68.16 -77.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.591 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 2.5 tt0 163.2 60.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.475 ' HB2' HD21 ' A' ' 86' ' ' LEU . 27.2 mtm-85 -157.11 161.76 39.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.811 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.3 m-30 -107.58 121.5 44.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.605 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -96.92 115.95 28.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.489 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 17.7 p-10 -80.71 -170.3 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.92 -5.89 13.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.56 ' O ' ' CB ' ' A' ' 84' ' ' SER . 6.1 t-20 -79.12 -3.58 46.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.442 1.089 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.9 OUTLIER 90.24 37.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.069 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.595 ' HB3' HD11 ' A' ' 105' ' ' LEU . 9.3 mmt180 -136.22 155.57 49.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.232 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 78' ' ' ARG . 0.5 OUTLIER -124.57 115.45 20.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.649 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 7.9 m95 -94.05 134.44 36.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 108.029 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.4 tt0 -93.57 117.15 29.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.041 HD12 HD21 ' A' ' 101' ' ' LEU . 20.3 mm -54.27 90.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -50.19 -46.35 54.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.628 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.59 139.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.565 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.654 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 25.3 t-80 -135.79 112.2 9.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.568 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.51 -174.14 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.674 ' HB2' HG23 ' A' ' 8' ' ' VAL . 0.9 OUTLIER -106.02 125.68 51.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 98' ' ' VAL . 5.0 t -122.47 124.28 70.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 49.04 34.78 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 75.36 21.01 78.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.565 1.166 . . . . 0.0 110.952 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.1 t -126.01 128.01 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.474 ' NE2' ' OE1' ' A' ' 48' ' ' GLN . 3.0 mp0 -73.34 107.52 5.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.252 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.61 ' HG2' HD21 ' A' ' 102' ' ' LEU . 33.6 tt0 -103.96 108.93 20.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.041 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -105.2 122.09 45.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.628 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.6 mt -98.98 120.3 39.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.758 HD12 HG21 ' A' ' 46' ' ' VAL . 14.3 mt -108.7 129.02 55.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 88' ' ' GLN . 1.1 tmmm? -117.34 123.67 47.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.637 HD22 ' CE2' ' A' ' 87' ' ' TRP . 22.2 tp -101.13 126.44 47.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.15 155.21 36.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.245 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.09 5.91 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.11 89.68 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.41 1.069 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 110' ' ' ARG . 18.4 t70 177.96 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 109' ' ' ASP . 0.5 OUTLIER 56.57 161.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 m -102.47 107.18 52.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 162.1 37.7 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.426 1.751 . . . . 0.0 111.005 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -136.53 -111.53 1.1 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 tp -77.84 76.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -91.15 112.19 23.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.637 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.74 138.72 28.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.04 -58.24 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.955 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.78 135.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.16 155.59 25.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.59 -147.49 21.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 111.041 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -175.16 147.14 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.361 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -150.94 151.85 32.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.658 HG22 ' CB ' ' A' ' 94' ' ' MET . 11.0 t -62.89 172.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.07 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.569 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -102.42 -59.07 0.76 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.09 139.48 8.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.04 174.39 12.87 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.444 1.76 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.468 ' HG3' ' CZ2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -75.04 93.06 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.415 ' HB3' ' OE2' ' A' ' 26' ' ' GLU . 28.2 t70 -41.28 -28.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.82 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -153.03 151.27 30.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 63.2 mt -130.5 146.02 51.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.82 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -130.27 112.46 13.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.025 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.602 ' CG1' HD22 ' A' ' 69' ' ' LEU . 8.5 p -71.16 121.07 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 53' ' ' LEU . 1.8 t60 -114.88 -32.99 5.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.47 160.34 37.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.412 ' HA ' ' HB3' ' A' ' 60' ' ' SER . 11.1 tt0 -52.08 110.2 0.46 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.26 23.0 78.64 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.601 1.188 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.658 HG21 HD23 ' A' ' 53' ' ' LEU . 1.3 mp -126.09 136.11 61.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 0.805 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.5 m-85 -133.56 154.08 51.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.95 134.12 52.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.468 ' CB ' ' HB2' ' A' ' 29' ' ' ARG . 22.5 t0 -82.76 -177.16 6.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.481 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 5.6 pt-20 -96.67 18.12 14.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -140.46 25.3 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 67.79 44.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 47.0 mtt180 -121.83 115.37 22.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.608 1.192 . . . . 0.0 110.265 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.572 HG22 HD11 ' A' ' 53' ' ' LEU . 14.3 p -76.21 146.2 39.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.836 ' HB3' HG12 ' A' ' 46' ' ' VAL . 58.0 m95 -127.55 155.25 44.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.935 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -120.18 87.89 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -73.67 104.88 4.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.47 HG23 HG12 ' A' ' 32' ' ' VAL . 73.1 t -95.74 81.05 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 p -43.89 107.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 43' ' ' ARG . 9.9 mm-40 -110.59 89.51 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -52.77 109.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.248 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.46 ' CB ' ' HB2' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -68.53 162.0 26.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 m -49.09 -29.62 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.77 42.26 0.25 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.87 ' C ' HD22 ' A' ' 42' ' ' LEU . 9.6 m-85 -161.49 -176.37 5.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.87 HD22 ' C ' ' A' ' 41' ' ' PHE . 2.5 mm? -126.63 93.66 3.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.112 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 1.4 ttp180 -103.77 134.66 46.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.44 109.44 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -80.58 106.25 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.258 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.836 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -93.53 105.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.284 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.648 ' OE1' ' CG1' ' A' ' 98' ' ' VAL . 0.1 OUTLIER -105.08 129.85 53.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.15 . . . . 0.0 110.263 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -90.07 120.07 30.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.935 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -148.34 164.53 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.434 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -87.93 102.48 14.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.434 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 9.0 p -150.15 138.82 12.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -74.96 163.57 35.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.397 1.735 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.658 HD23 HG21 ' A' ' 22' ' ' ILE . 2.0 mp -117.54 118.4 32.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.1 -104.1 0.05 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.483 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 6.4 m-20 -89.02 177.54 6.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.736 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.55 51.34 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.6 -145.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.441 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 6.7 mtt180 -133.93 62.58 58.4 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 63' ' ' LEU . 18.0 Cg_endo -75.01 -89.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.412 ' HB3' ' HA ' ' A' ' 20' ' ' GLU . 62.1 p -41.31 -28.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.596 ' CE1' HD21 ' A' ' 69' ' ' LEU . 2.0 m170 -63.41 -50.54 69.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.604 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -90.46 -17.33 27.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -81.36 -63.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.9 m -80.32 -64.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 p 75.79 37.73 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -125.54 -59.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.232 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 67' ' ' LEU . 4.2 mp -65.68 142.12 98.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.609 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.99 169.52 22.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 110.992 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.602 HD22 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -77.71 -8.98 58.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.609 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -170.69 142.91 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.505 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -109.51 155.22 21.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 108.041 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -137.17 99.59 4.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.868 HD13 ' CE1' ' A' ' 79' ' ' TYR . 10.8 tp -51.11 112.68 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.585 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.82 -178.87 0.77 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.584 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -75.04 174.86 12.07 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.477 1.777 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.1 OUTLIER 78.69 -81.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.266 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.61 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 44.2 tt0 169.71 55.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.505 ' CD ' ' C ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -155.12 162.98 40.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.868 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-85 -110.86 124.42 52.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.585 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -99.35 120.31 39.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.483 ' OD2' ' C ' ' A' ' 81' ' ' ASP . 42.4 p30 -85.67 -174.16 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.98 0.53 20.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.572 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.6 t-20 -80.11 -4.18 51.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 1.6 t 91.12 36.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.961 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.956 ' HB3' HD11 ' A' ' 105' ' ' LEU . 21.6 mmt-85 -142.67 163.55 32.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' A' ' 78' ' ' ARG . 1.5 tt -126.14 121.53 33.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 1.009 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.0 m95 -96.53 137.58 35.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' A' ' 104' ' ' LYS . 5.0 tt0 -97.51 126.17 42.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.031 HD12 HD21 ' A' ' 101' ' ' LEU . 19.7 mm -63.45 94.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -54.45 -45.35 73.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.216 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.667 ' CD2' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -173.03 135.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.547 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 21.6 t-80 -131.42 116.23 17.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.611 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.667 HD22 ' CD2' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -153.02 -179.22 7.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.215 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.658 ' CB ' HG22 ' A' ' 8' ' ' VAL . 4.6 ttm -128.81 132.57 47.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.2 t -136.72 138.88 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 48.94 37.78 10.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 68.91 20.71 74.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.648 ' CG1' ' OE1' ' A' ' 47' ' ' GLN . 2.0 t -122.35 130.83 74.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.551 ' NE2' HG13 ' A' ' 8' ' ' VAL . 21.9 mt-30 -94.15 116.06 28.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.606 ' HG2' HD21 ' A' ' 102' ' ' LEU . 17.6 tt0 -107.94 104.02 13.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.031 HD21 HD12 ' A' ' 89' ' ' ILE . 1.9 tt -99.7 123.12 43.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.606 HD21 ' HG2' ' A' ' 100' ' ' GLU . 3.1 mt -98.23 121.36 40.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.666 HD12 HG21 ' A' ' 46' ' ' VAL . 18.0 mt -112.0 129.36 56.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.562 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -119.58 129.59 54.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 1.009 HD13 ' CD1' ' A' ' 87' ' ' TRP . 45.0 tp -108.32 123.96 49.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.7 mp -87.1 152.64 53.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.235 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 137.81 21.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 109' ' ' ASP . 0.8 OUTLIER -41.1 108.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' ASP . 9.9 t70 -40.23 123.24 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' SER . 0.1 OUTLIER -146.36 156.28 43.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 110' ' ' ARG . 0.1 OUTLIER -39.1 99.65 0.2 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.386 1.054 . . . . 0.0 110.013 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.439 ' O ' HG22 ' A' ' 114' ' ' ILE . 18.3 Cg_endo -74.91 75.38 3.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.535 1.808 . . . . 0.0 111.056 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 114' ' ' ILE . . . 41.41 -102.93 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.631 ' O ' HG23 ' A' ' 114' ' ' ILE . 1.6 tp 34.9 88.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.56 0.8 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -121.87 82.89 2.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.637 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.43 133.1 5.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.364 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 54.63 171.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 0.734 . . . . 0.0 109.974 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.4 ttm -159.98 77.65 0.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.29 157.07 23.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.94 159.01 11.51 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -175.5 147.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.26 149.72 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.721 HG13 ' NE2' ' A' ' 99' ' ' GLN . 2.8 t -66.94 177.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.679 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -114.16 -57.72 0.38 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.32 137.74 6.95 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.747 . . . . 0.0 109.278 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.586 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.93 173.55 14.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.3 Cg_endo -74.97 94.16 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 110.982 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -41.78 -28.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.753 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.87 148.31 27.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 57.5 mt -128.29 147.14 50.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.753 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.1 m0 -130.53 111.77 12.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 108.008 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.801 HG12 HD13 ' A' ' 69' ' ' LEU . 8.2 p -67.39 122.6 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 3.6 t60 -114.35 -33.01 5.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 109.595 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.68 ' HB3' HD13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -138.68 158.34 44.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.738 ' O ' HD12 ' A' ' 22' ' ' ILE . 6.0 pt-20 -51.1 108.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 77.76 23.73 66.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 20' ' ' GLU . 4.4 mp -130.21 139.22 51.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.44 0.729 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.526 ' OH ' ' HB3' ' A' ' 67' ' ' LEU . 13.9 m-85 -137.04 153.25 50.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.038 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -108.91 134.95 50.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' ARG . 28.8 t0 -80.87 180.0 7.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.598 1.186 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 16.2 pt-20 -95.73 14.4 23.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -140.18 29.94 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 66.69 47.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.586 1.178 . . . . 0.0 110.287 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 25' ' ' ASP . 2.7 mtt180 -125.46 117.43 23.65 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.847 ' CG2' HD21 ' A' ' 53' ' ' LEU . 19.1 p -79.01 148.04 32.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.846 ' HB3' HG12 ' A' ' 46' ' ' VAL . 63.0 m95 -133.41 148.56 51.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.85 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.4 t -114.78 92.89 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.211 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -77.24 111.81 13.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.7 t -103.07 97.12 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.249 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.27 115.37 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -144.22 106.99 4.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 110.327 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.539 ' HG2' HD13 ' A' ' 42' ' ' LEU . 24.8 mt-10 -71.37 150.76 44.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.633 ' HG2' HH21 ' A' ' 43' ' ' ARG . 0.0 OUTLIER -161.09 129.98 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 39' ' ' THR . 53.5 m 63.73 22.52 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 39' ' ' THR . 0.1 OUTLIER 78.36 41.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.596 ' C ' HD22 ' A' ' 42' ' ' LEU . 19.7 m-85 -129.67 176.74 7.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.596 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.7 mm? -120.67 88.2 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.633 HH21 ' HG2' ' A' ' 38' ' ' GLU . 11.0 ttm180 -96.72 121.68 38.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.229 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.415 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -110.14 82.42 1.59 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.515 ' CG ' HD22 ' A' ' 102' ' ' LEU . 3.0 ttm-85 -58.96 110.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.846 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.1 t -99.0 109.58 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.508 ' HG3' ' CG1' ' A' ' 98' ' ' VAL . 3.3 tt0 -106.77 134.34 50.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.501 ' O ' HG13 ' A' ' 98' ' ' VAL . 30.9 tp60 -88.29 126.83 35.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.85 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -154.06 177.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -109.25 107.12 17.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.842 HG13 HD23 ' A' ' 53' ' ' LEU . 7.1 p -142.19 128.48 10.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -75.03 65.13 6.1 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.847 HD21 ' CG2' ' A' ' 30' ' ' THR . 0.3 OUTLIER -59.38 108.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.463 ' O ' ' NE2' ' A' ' 18' ' ' HIS . . . -97.1 -71.71 1.07 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.951 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.491 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 26.3 t70 -45.0 138.41 3.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.546 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . . . -141.8 55.56 1.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.2 -143.76 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.607 ' HB3' HD12 ' A' ' 62' ' ' LEU . 5.8 mtm180 -133.48 62.78 61.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.5 Cg_endo -74.99 -77.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.448 ' HB3' ' CB ' ' A' ' 20' ' ' GLU . 53.4 p -63.47 -29.29 70.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.471 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 4.4 m170 -55.6 -30.61 61.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.653 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.607 HD12 ' HB3' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -112.07 -33.06 6.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -53.26 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.524 HG22 ' HB2' ' A' ' 66' ' ' GLN . 74.7 m -75.24 -66.93 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 p 67.43 36.78 3.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.944 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.524 ' HB2' HG22 ' A' ' 64' ' ' THR . 45.0 mm-40 -127.84 -61.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.352 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.7 mp -67.08 142.97 97.55 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.655 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.0 Cg_endo -75.08 162.09 37.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.54 1.811 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.801 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -69.65 -19.19 63.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.609 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 6.2 ttp -161.08 143.26 12.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.5 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.7 m0 -108.94 154.5 22.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -137.74 93.33 2.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 110.327 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.656 HD12 ' N ' ' A' ' 74' ' ' TYR . 4.2 tp -40.99 124.49 2.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.656 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -120.79 -178.53 0.6 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.561 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.01 166.11 29.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 78.37 6.88 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.364 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 70.92 49.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.672 ' CZ ' HD13 ' A' ' 86' ' ' LEU . 38.9 mtp180 -140.16 160.19 40.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.682 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.5 m-30 -112.03 121.66 45.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.569 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -97.06 117.0 30.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.489 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 34.3 p30 -71.04 -172.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -114.04 0.51 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.636 ' O ' ' CB ' ' A' ' 84' ' ' SER . 6.2 t-20 -82.02 -51.03 8.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 2.8 m 146.91 39.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.909 ' HB3' HD11 ' A' ' 105' ' ' LEU . 20.3 mtt180 -144.87 161.53 39.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.345 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.672 HD13 ' CZ ' ' A' ' 78' ' ' ARG . 1.1 tt -127.33 115.75 19.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.922 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.2 m95 -90.14 136.95 32.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 104' ' ' LYS . 4.2 tt0 -95.65 121.6 37.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.032 HD12 HD21 ' A' ' 101' ' ' LEU . 7.6 mm -60.66 92.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -44.38 66.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.075 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.623 ' CE1' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.38 143.15 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.616 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 24.7 t-80 -139.88 115.71 10.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.623 1.202 . . . . 0.0 109.601 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.695 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -157.89 -171.36 3.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.673 ' HE2' ' C ' ' A' ' 97' ' ' GLY . 2.9 ttm -117.09 124.76 50.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.3 t -124.24 132.36 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER 49.02 38.61 12.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.673 ' C ' ' HE2' ' A' ' 94' ' ' MET . . . 67.92 26.32 73.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.508 ' CG1' ' HG3' ' A' ' 47' ' ' GLN . 2.1 t -130.76 135.6 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.721 ' NE2' HG13 ' A' ' 8' ' ' VAL . 14.0 mm-40 -82.57 113.69 20.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.646 ' HG2' HD21 ' A' ' 102' ' ' LEU . 35.1 tt0 -109.79 106.21 15.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.032 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -104.42 122.58 45.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.646 HD21 ' HG2' ' A' ' 100' ' ' GLU . 2.4 mt -99.33 123.85 43.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.696 HD12 HG21 ' A' ' 46' ' ' VAL . 18.0 mt -113.63 127.73 56.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -116.47 129.8 56.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.922 HD13 ' CD1' ' A' ' 87' ' ' TRP . 46.6 tp -109.15 116.06 31.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.8 mp -89.11 151.11 46.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 110.71 3.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.466 1.771 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -71.97 99.36 2.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -122.25 152.69 39.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 109' ' ' ASP . 0.2 OUTLIER -35.84 132.02 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 110.267 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.35 118.27 1.43 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.023 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.26 40.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.436 1.756 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -161.43 81.16 0.14 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.548 1.155 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.9 mm -48.29 107.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 0.788 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -79.73 109.84 14.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.83 127.76 29.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.8 t70 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.07 120.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 0.797 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 177.24 101.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.16 157.3 28.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.81 147.08 9.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -169.08 156.61 7.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.76 . . . . 0.0 110.297 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.34 144.08 49.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.244 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 9' ' ' GLY . 46.8 t -54.87 166.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.491 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -79.37 -63.68 2.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.546 1.154 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.49 137.47 6.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.776 . . . . 0.0 109.271 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -75.03 174.15 13.29 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.513 1.796 . . . . 0.0 110.971 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.498 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.4 Cg_endo -74.94 90.95 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.805 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.451 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 14.3 t0 -40.6 -29.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.231 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.803 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -151.04 149.3 29.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.612 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.49 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 62.3 mt -129.29 146.46 51.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.803 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.1 m0 -131.58 111.3 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.163 . . . . 0.0 107.999 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.683 HG12 HD13 ' A' ' 69' ' ' LEU . 11.1 p -71.74 118.26 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.501 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 1.6 t-160 -114.91 -33.65 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.642 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.695 ' NE2' ' H ' ' A' ' 54' ' ' GLY . 1.7 mt-30 -125.96 161.11 28.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HB2' ' HB2' ' A' ' 59' ' ' PRO . 2.7 tt0 -54.63 113.35 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 69.47 23.75 76.39 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.442 1.088 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.605 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.3 mp -122.56 157.46 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.2 m-85 -151.08 149.34 29.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' TRP . 1.4 ttp85 -105.74 131.12 53.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -81.49 179.9 7.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.591 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 13.1 tt0 -94.19 16.83 13.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -140.99 28.34 1.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 65.69 48.02 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.402 ' HB3' ' NE2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -126.86 117.44 22.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.29 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.665 ' CG2' HD21 ' A' ' 53' ' ' LEU . 1.4 p -80.43 134.45 36.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.762 ' HB3' HG12 ' A' ' 46' ' ' VAL . 54.5 m95 -116.84 150.35 38.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 107.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.699 HG23 HD11 ' A' ' 49' ' ' ILE . 2.5 t -116.79 103.47 15.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -87.15 112.92 22.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.6 t -100.05 81.73 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 p -45.99 112.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.78 91.1 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.36 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -55.49 99.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.479 ' CB ' ' HB2' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -57.16 165.13 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.0 m -49.08 -37.8 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.179 . . . . 0.0 110.403 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.554 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 14.5 t -151.92 37.84 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.993 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.617 ' C ' HD22 ' A' ' 42' ' ' LEU . 52.1 m-85 -156.38 176.04 13.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.617 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.7 mm? -119.83 104.3 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.243 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.442 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 23.0 ttm180 -113.98 133.78 55.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.21 89.96 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.492 ' HG3' HD22 ' A' ' 102' ' ' LEU . 4.5 ttm180 -64.69 110.27 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.767 HG21 HD12 ' A' ' 103' ' ' LEU . 1.9 t -98.91 117.35 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.402 ' HG2' HG23 ' A' ' 49' ' ' ILE . 2.8 tt0 -111.04 134.62 52.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.424 ' OE1' ' N ' ' A' ' 49' ' ' ILE . 5.8 tp-100 -93.01 123.28 36.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.807 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -147.77 165.2 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.78 82.02 3.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.6 m -129.85 136.66 29.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 150.54 37.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.665 HD21 ' CG2' ' A' ' 30' ' ' THR . 1.2 mm? -73.84 112.16 9.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.695 ' H ' ' NE2' ' A' ' 19' ' ' GLN . . . -70.56 -102.36 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.501 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 2.3 p30 -75.43 -173.97 2.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.415 ' HB2' ' NE2' ' A' ' 18' ' ' HIS . . . -159.89 63.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.415 ' C ' ' HD3' ' A' ' 59' ' ' PRO . . . -121.76 -140.09 0.33 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.49 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 1.5 mtt85 -133.57 60.0 44.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.231 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.49 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -75.04 -86.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.811 . . . . 0.0 111.012 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.4 ' HB2' ' HG3' ' A' ' 20' ' ' GLU . 40.0 t -40.71 -33.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.505 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.8 m170 -58.14 -49.76 75.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.628 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' PRO . 6.5 mt -96.3 5.26 51.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -110.94 4.49 19.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.432 HG22 ' HB2' ' A' ' 66' ' ' GLN . 16.7 m -155.11 -56.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 p 64.43 39.68 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.432 ' HB2' HG22 ' A' ' 64' ' ' THR . 30.7 mm100 -122.84 -59.42 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.3 mp -67.84 140.13 93.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.365 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.656 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.04 167.18 27.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.545 1.813 . . . . 0.0 110.979 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.683 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -75.32 -14.64 60.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.38 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.623 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -164.33 141.67 6.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.072 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.506 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.3 m0 -107.46 155.77 19.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 80' ' ' MET . 2.8 tp60 -135.37 98.93 4.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.855 HD13 ' CE1' ' A' ' 79' ' ' TYR . 11.5 tp -51.34 115.98 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -101.39 -177.43 0.56 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.551 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.06 179.21 6.32 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.494 1.786 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 1.1 mm-40 70.6 -79.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 9.5 tt0 168.66 62.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.467 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 84.4 mtt180 -157.27 160.14 38.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.855 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-85 -111.39 121.44 45.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.559 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -94.93 121.2 36.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.965 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.482 ' OD2' ' C ' ' A' ' 81' ' ' ASP . 42.9 p30 -87.24 -173.37 4.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -109.63 0.62 19.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.231 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.538 ' O ' ' CB ' ' A' ' 84' ' ' SER . 5.5 t-20 -82.12 -2.91 53.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 88.51 36.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.925 ' HB3' HD11 ' A' ' 105' ' ' LEU . 9.1 mtt180 -141.31 156.3 45.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -120.48 119.47 33.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.371 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 1.04 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.3 m95 -94.22 136.31 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 108.02 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 104' ' ' LYS . 4.2 tt0 -94.54 122.7 37.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.091 HD12 HD21 ' A' ' 101' ' ' LEU . 9.9 mm -63.47 94.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -45.66 70.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.217 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.72 ' CE1' HD11 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.98 147.56 2.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.548 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.569 ' C ' HD13 ' A' ' 93' ' ' LEU . 25.1 t-80 -142.93 109.6 5.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.655 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.636 HD11 ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -145.85 -170.56 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.261 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 3.8 ttm -131.22 129.39 41.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 98' ' ' VAL . 49.4 t -134.79 139.46 47.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? 47.58 39.44 9.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.246 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.15 27.07 72.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.115 . . . . 0.0 111.043 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 95' ' ' VAL . 2.1 t -130.33 134.5 62.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -95.32 115.4 27.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.569 ' HG2' HD21 ' A' ' 102' ' ' LEU . 30.8 tt0 -106.27 110.68 23.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.091 HD21 HD12 ' A' ' 89' ' ' ILE . 1.8 tt -105.77 121.89 44.95 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.72 HD11 ' CE1' ' A' ' 91' ' ' HIS . 2.2 mt -98.02 125.49 43.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.767 HD12 HG21 ' A' ' 46' ' ' VAL . 17.4 mt -115.24 129.15 56.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -118.53 127.03 53.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 1.04 HD13 ' CD1' ' A' ' 87' ' ' TRP . 35.1 tp -106.39 122.97 47.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -84.38 159.06 59.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -44.45 105.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 110' ' ' ARG . 0.7 OUTLIER -105.24 141.99 35.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -37.89 154.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.3 t -159.66 118.56 1.64 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 113.13 3.72 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.01 -59.02 6.77 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.432 1.082 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.412 ' O ' HG23 ' A' ' 114' ' ' ILE . 4.0 tt -41.92 108.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -138.65 136.38 35.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.616 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.37 136.46 20.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 110.285 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.2 t0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.363 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t -179.5 137.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 0.722 . . . . 0.0 110.043 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.7 tpt 66.17 72.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.06 90.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 130.57 64.9 0.1 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.474 1.108 . . . . 0.0 111.09 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -65.89 150.23 48.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 0.72 . . . . 0.0 110.338 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.39 151.87 15.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.716 HG12 ' H ' ' A' ' 9' ' ' GLY . 2.4 t -69.94 -179.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.716 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -91.66 -71.32 1.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.66 142.19 10.04 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.553 0.796 . . . . 0.0 109.314 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.521 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.01 173.91 13.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.047 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.474 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.2 Cg_endo -75.0 93.15 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.431 1.753 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.437 ' HA ' ' CB ' ' A' ' 73' ' ' LEU . 15.6 t0 -41.86 -29.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.811 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -151.4 148.82 28.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.57 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 62.6 mt -129.37 146.12 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.811 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.6 m0 -130.81 112.64 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.6 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 8.3 p -73.49 119.14 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.619 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 1.5 t-160 -115.22 -34.38 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.575 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -127.67 158.24 38.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.348 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.02 110.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 71.93 21.72 78.96 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mp -124.09 139.16 51.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.583 0.813 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.3 m-85 -134.83 152.26 51.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -107.05 133.23 52.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.093 . . . . 0.0 110.294 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -85.7 179.7 7.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.18 23.54 2.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.462 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 8.1 m-85 -154.13 48.56 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 7.4 pm0 46.72 41.84 10.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.175 . . . . 0.0 110.28 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.87 110.09 17.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.465 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 7.1 p -74.98 144.53 43.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.371 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.85 ' HB3' HG12 ' A' ' 46' ' ' VAL . 49.7 m95 -124.64 153.1 42.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.02 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.941 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -117.51 97.91 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -83.07 104.56 13.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.426 HG11 ' NH2' ' A' ' 45' ' ' ARG . 99.1 t -89.21 75.97 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.788 HG21 HG21 ' A' ' 64' ' ' THR . 2.6 p -52.13 109.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 3.1 pt-20 -123.39 92.41 3.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' HG2' HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -48.65 111.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -66.69 160.17 26.19 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 110.252 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 m -47.34 -31.32 3.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.01 39.74 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.958 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.884 ' C ' HD22 ' A' ' 42' ' ' LEU . 8.9 m-85 -160.8 -174.5 4.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.884 HD22 ' C ' ' A' ' 41' ' ' PHE . 2.3 mm? -128.87 101.88 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 23.4 ttp85 -110.52 125.41 53.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.1 92.4 3.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.366 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.426 ' NH2' HG11 ' A' ' 34' ' ' VAL . 4.7 ttm180 -70.51 109.59 4.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.85 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -96.5 113.42 30.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.6 tt0 -109.05 133.75 52.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.513 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 27.6 tp60 -90.8 124.45 35.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.941 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -156.44 168.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.444 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 1.0 OUTLIER -91.59 112.03 23.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.364 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 2.1 p -152.23 133.61 8.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -74.99 136.11 19.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.545 1.813 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.422 ' HB3' ' CD2' ' A' ' 18' ' ' HIS . 0.6 OUTLIER -82.05 110.7 17.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.36 -100.31 0.15 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.485 ' CG ' ' N ' ' A' ' 56' ' ' ALA . 2.1 t70 -83.7 168.75 15.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.584 0.814 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.619 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . . . -140.7 54.33 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.36 -142.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.235 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.422 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 53.7 mtt180 -134.85 63.34 57.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 62' ' ' LEU . 18.0 Cg_endo -75.06 -87.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.445 1.76 . . . . 0.0 111.005 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 64' ' ' THR . 9.4 t -41.98 -29.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.498 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 3.1 m170 -63.55 -47.96 79.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -86.21 -29.31 23.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 tt -74.58 -68.49 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.788 HG21 HG21 ' A' ' 35' ' ' VAL . 24.3 m -76.27 -69.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 110.441 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 p 75.82 36.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.948 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -119.64 -57.71 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.3 mp -66.84 143.12 97.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.621 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -74.98 168.37 25.0 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.497 HD21 ' CE1' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -73.95 -24.3 59.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.51 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -156.7 140.6 16.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.493 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.6 m0 -105.39 155.07 19.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.038 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 80' ' ' MET . 2.9 tp60 -134.09 95.81 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.799 HD12 ' N ' ' A' ' 74' ' ' TYR . 1.0 OUTLIER -41.87 123.07 2.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.799 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -124.59 175.55 2.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.549 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -74.91 177.81 8.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 1.0 OUTLIER 67.32 19.49 10.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 58.61 50.91 8.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 110.264 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -144.2 157.85 44.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.799 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-30 -111.57 128.93 56.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.595 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -101.43 119.35 38.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.407 ' HB3' ' HG3' ' A' ' 68' ' ' PRO . 7.4 p30 -92.52 176.08 6.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -97.59 2.32 49.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 84' ' ' SER . 1.9 t-20 -79.25 -2.16 39.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.9 OUTLIER 85.65 36.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.937 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.882 ' HB3' HD11 ' A' ' 105' ' ' LEU . 17.2 mmt85 -144.51 162.24 37.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 110.277 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 79' ' ' TYR . 1.3 tt -125.85 116.25 21.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.999 ' CD1' HD13 ' A' ' 105' ' ' LEU . 9.3 m95 -89.63 140.26 29.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 107.96 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.7 tt0 -96.17 129.13 43.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.033 HD12 HD21 ' A' ' 101' ' ' LEU . 5.6 mm -73.11 90.94 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -53.47 -42.08 66.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.716 ' CE1' HD11 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -170.53 150.41 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.547 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.521 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 15.4 t-80 -147.96 115.09 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.587 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.783 ' H ' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -152.52 -172.91 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.432 ' HA ' ' O ' ' A' ' 98' ' ' VAL . 1.3 ttp -140.85 122.32 15.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.8 t -126.91 143.31 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.88 34.85 8.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 69.13 23.97 76.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.452 HG22 HG22 ' A' ' 49' ' ' ILE . 2.0 t -124.17 126.28 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.506 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -91.26 117.86 30.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 0.0 110.285 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.615 ' HG2' HD21 ' A' ' 102' ' ' LEU . 35.1 tt0 -111.52 104.68 13.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.033 HD21 HD12 ' A' ' 89' ' ' ILE . 1.9 tt -102.45 124.78 48.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.716 HD11 ' CE1' ' A' ' 91' ' ' HIS . 2.4 mt -100.74 128.16 46.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.555 HD12 HG21 ' A' ' 46' ' ' VAL . 17.2 mt -118.31 131.92 56.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -120.03 126.29 50.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.999 HD13 ' CD1' ' A' ' 87' ' ' TRP . 37.3 tp -106.44 114.45 28.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.0 mp -92.72 156.35 41.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 137.19 21.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -41.55 105.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.403 1.065 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.06 144.35 33.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.214 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 -137.16 153.45 50.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.3 p -166.93 88.32 0.79 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.045 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 135.79 19.62 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.444 1.76 . . . . 0.0 110.99 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -110.35 -162.9 18.78 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.442 ' O ' HG23 ' A' ' 114' ' ' ILE . 1.1 tp -96.43 115.29 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.1 109.35 17.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.534 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -136.51 135.25 38.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 3' ' ' MET . 33.5 p 178.57 -177.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 0.744 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.494 ' CB ' ' O ' ' A' ' 2' ' ' SER . 6.1 ttm 80.76 147.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.18 155.95 25.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.39 63.61 2.33 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 6' ' ' GLU . 3.7 pt-20 -82.87 50.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.482 0.754 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.473 ' O ' ' O ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER 55.19 161.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.765 HG22 ' HB2' ' A' ' 94' ' ' MET . 67.7 t -69.42 165.5 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.501 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -80.64 -67.39 1.55 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.477 1.11 . . . . 0.0 111.052 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.88 144.19 10.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.582 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -74.98 174.83 12.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.464 1.77 . . . . 0.0 111.011 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.529 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.3 Cg_endo -75.0 91.65 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' PRO . 15.7 t70 -40.09 -29.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.787 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.54 146.83 26.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.548 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 23' ' ' TYR . 56.0 mt -126.2 150.1 48.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.787 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 15.8 m0 -132.08 106.65 8.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 108.026 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.862 ' CG1' HD22 ' A' ' 69' ' ' LEU . 2.0 p -65.96 124.61 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 109.248 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 4.1 t60 -113.43 -31.84 6.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.638 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -146.46 160.69 41.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.605 ' O ' HD12 ' A' ' 22' ' ' ILE . 9.8 pt-20 -49.58 109.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 110.26 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.491 ' C ' HD12 ' A' ' 22' ' ' ILE . . . 74.95 24.93 70.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 20' ' ' GLU . 3.2 mp -130.44 130.44 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.549 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.4 m-85 -133.71 153.8 51.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.058 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -111.53 131.86 54.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' ARG . 12.0 t0 -80.15 176.7 9.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.535 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 11.9 tt0 -91.38 24.28 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.591 1.182 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -149.47 27.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 67.91 40.21 2.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER -115.78 114.87 25.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.8 p -79.48 140.84 37.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.864 ' HB3' HG12 ' A' ' 46' ' ' VAL . 53.6 m95 -122.57 156.15 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 108.038 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.91 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -119.78 93.98 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.467 ' O ' ' CA ' ' A' ' 21' ' ' GLY . . . -76.43 116.49 17.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 t -106.85 90.61 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.735 HG21 ' OE1' ' A' ' 66' ' ' GLN . 5.2 p -64.91 113.98 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -140.58 93.86 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.348 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.454 ' HG2' HD23 ' A' ' 42' ' ' LEU . 1.5 mt-10 -62.7 154.35 29.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.04 156.27 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.241 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.2 m 48.85 33.45 4.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.46 41.83 22.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.093 . . . . 0.0 110.012 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -138.53 -173.07 3.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.472 ' O ' ' CD ' ' A' ' 104' ' ' LYS . 39.7 mt -116.48 140.2 49.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -149.1 118.7 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.84 85.98 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.596 ' CG ' HD22 ' A' ' 102' ' ' LEU . 2.3 ttm-85 -64.6 108.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.864 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.1 t -95.62 110.79 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.541 ' HG2' HD12 ' A' ' 49' ' ' ILE . 1.2 tt0 -110.58 127.69 55.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.479 ' O ' HG13 ' A' ' 98' ' ' VAL . 1.1 tm0? -89.0 118.93 29.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.91 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -154.7 159.73 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -69.38 114.26 7.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.451 ' CG2' ' HD2' ' A' ' 52' ' ' PRO . 11.1 p -148.42 140.02 14.13 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.451 ' HD2' ' CG2' ' A' ' 51' ' ' VAL . 18.5 Cg_endo -74.96 168.74 24.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.8 mt -123.23 144.01 49.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.51 114.29 0.59 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.427 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 7.7 t70 67.76 138.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.781 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.436 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . . . -141.99 55.48 1.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 109.266 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.31 -101.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.593 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 11.3 mtt180 -159.33 54.31 0.65 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.593 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.4 Cg_endo -75.03 -43.55 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.447 1.762 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' A' ' 64' ' ' THR . 93.9 p -66.51 -6.71 15.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 110.048 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.853 ' CE1' HD23 ' A' ' 69' ' ' LEU . 35.4 m170 -108.91 -41.2 4.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.064 . . . . 0.0 109.543 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.15 -48.44 14.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -72.83 -66.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.668 HG21 HD13 ' A' ' 67' ' ' LEU . 1.6 m -71.14 -69.72 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 2.6 p 69.22 40.62 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.735 ' OE1' HG21 ' A' ' 35' ' ' VAL . 3.8 mt-30 -138.68 -57.85 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.142 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.668 HD13 HG21 ' A' ' 64' ' ' THR . 2.5 mp -66.8 144.56 98.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.698 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.04 167.65 26.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.986 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.862 HD22 ' CG1' ' A' ' 17' ' ' VAL . 0.8 OUTLIER -70.91 -40.28 72.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.687 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 5.3 ttp -140.52 141.67 35.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.497 ' CZ3' ' CE2' ' A' ' 23' ' ' TYR . 1.7 m0 -106.42 157.9 17.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 108.033 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -139.41 107.25 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.724 HD13 ' CE1' ' A' ' 79' ' ' TYR . 8.6 tp -59.7 115.41 3.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.253 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.55 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -102.12 -178.47 0.66 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.949 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.02 165.5 31.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 6.3 tt0 86.45 -75.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.582 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 4.4 tt0 162.08 56.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.587 ' HB2' HD21 ' A' ' 86' ' ' LEU . 14.7 mtp180 -153.91 158.58 40.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.888 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-30 -107.44 126.04 51.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.535 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.6 OUTLIER -99.46 117.34 33.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.434 ' OD1' ' CD1' ' A' ' 87' ' ' TRP . 1.6 p30 -89.27 177.28 6.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.69 0.94 42.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 84' ' ' SER . 18.3 t30 -80.44 -2.61 46.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.6 OUTLIER 86.86 34.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.922 ' HB3' HD11 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -141.3 158.92 43.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.203 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.587 HD21 ' HB2' ' A' ' 78' ' ' ARG . 1.3 tt -125.03 114.94 19.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.989 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.3 m95 -89.1 139.42 30.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.062 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.7 tt0 -94.91 122.52 37.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.998 HD12 HD21 ' A' ' 101' ' ' LEU . 16.9 mm -63.18 90.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.77 -44.13 58.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.765 ' CE1' HD11 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.66 154.99 3.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.66 ' C ' HD13 ' A' ' 93' ' ' LEU . 22.0 t-80 -151.88 112.19 4.11 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.095 . . . . 0.0 109.587 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.731 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -152.91 -170.44 3.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.765 ' HB2' HG22 ' A' ' 8' ' ' VAL . 2.5 ttm -121.44 122.44 39.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.442 1.088 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.7 t -125.72 134.34 66.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 50.07 38.13 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.246 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.448 ' C ' ' HE1' ' A' ' 94' ' ' MET . . . 68.28 24.79 74.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.1 t -131.62 131.53 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.78 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.402 ' HG2' ' CG1' ' A' ' 8' ' ' VAL . 3.2 mt-30 -86.0 112.35 21.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.537 ' HG2' HD21 ' A' ' 102' ' ' LEU . 35.3 tt0 -103.78 113.9 27.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.998 HD21 HD12 ' A' ' 89' ' ' ILE . 1.8 tt -108.34 125.26 51.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.765 HD11 ' CE1' ' A' ' 91' ' ' HIS . 1.9 mt -101.68 129.84 47.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.729 HD12 HG21 ' A' ' 46' ' ' VAL . 15.8 mt -118.61 125.86 50.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -114.65 126.62 55.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.989 HD13 ' CD1' ' A' ' 87' ' ' TRP . 43.4 tp -106.37 118.04 35.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 106' ' ' LEU . 7.2 mp -97.91 157.77 34.03 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 121.24 6.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -56.92 106.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -90.38 140.96 29.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.21 153.83 50.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.594 1.184 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.5 p -139.69 96.48 8.49 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 109.95 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 160.41 40.31 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.87 -40.94 1.4 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.535 1.147 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.665 HG22 ' O ' ' A' ' 114' ' ' ILE . 2.1 mp -92.59 77.65 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 0.799 . . . . 0.0 109.341 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -148.07 82.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 109.542 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.26 119.7 7.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.234 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.354 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 p -137.32 176.71 8.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 0.751 . . . . 0.0 110.054 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 8.4 ttm -166.68 86.18 0.29 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.8 152.76 30.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.398 1.061 . . . . 0.0 109.301 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.77 165.78 32.24 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -171.22 135.17 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.24 145.28 31.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.628 HG22 ' CB ' ' A' ' 94' ' ' MET . 4.5 t -67.32 173.54 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.602 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -106.96 -53.76 0.69 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.464 1.102 . . . . 0.0 110.959 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.46 136.69 6.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 0.0 109.247 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.626 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.98 174.51 12.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.525 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.3 Cg_endo -74.98 95.35 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.792 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -43.18 -27.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.807 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -155.07 148.76 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.567 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 49.8 mt -126.77 147.44 49.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.807 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 15.7 m0 -131.03 111.6 12.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 107.959 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.856 HG12 HD13 ' A' ' 69' ' ' LEU . 9.5 p -70.57 122.99 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.694 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 1.8 t-160 -114.78 -33.71 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.087 . . . . 0.0 109.603 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.501 ' HB3' HD13 ' A' ' 22' ' ' ILE . 2.0 mt-30 -133.22 167.5 20.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.268 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.521 ' HA ' ' CB ' ' A' ' 60' ' ' SER . 13.5 pt-20 -59.87 108.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 77.89 22.14 69.71 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.464 1.103 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.582 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.3 mp -124.15 155.47 31.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.574 0.808 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.0 m-85 -153.3 152.94 31.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -110.48 132.48 54.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' ARG . 26.9 t0 -80.12 178.68 8.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.374 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.553 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 26.5 tt0 -93.72 18.87 9.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -144.9 29.13 1.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 67.26 45.56 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.591 ' NH1' HE22 ' A' ' 99' ' ' GLN . 1.4 mtm180 -122.42 116.16 23.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.602 1.189 . . . . 0.0 110.264 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 p -79.95 139.05 37.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.896 ' HB3' HG12 ' A' ' 46' ' ' VAL . 58.4 m95 -123.54 152.93 41.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 107.984 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.861 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -121.48 96.41 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -83.11 103.93 12.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 34' ' ' VAL . 55.6 t -91.0 75.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 p -41.79 111.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -120.31 92.11 3.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -50.03 112.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -70.51 164.3 25.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.8 m -49.3 -36.17 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.05 38.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.022 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.748 ' C ' HD22 ' A' ' 42' ' ' LEU . 12.2 m-85 -161.72 -177.47 5.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.748 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.3 mm? -123.01 107.92 12.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.221 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -113.2 125.92 54.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.88 93.12 4.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 33' ' ' ALA . 2.9 ttm-85 -68.54 106.04 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.896 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -93.86 108.39 20.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.566 ' HG2' HD12 ' A' ' 49' ' ' ILE . 2.2 tt0 -106.33 129.46 54.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.455 ' O ' HG13 ' A' ' 98' ' ' VAL . 1.6 tm0? -87.91 120.92 29.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.364 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.861 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -148.4 162.49 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -89.62 107.42 19.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.421 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 25.5 m -151.27 140.17 13.47 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.1 Cg_endo -75.07 138.09 22.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.789 . . . . 0.0 110.933 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.514 HD22 ' HB3' ' A' ' 18' ' ' HIS . 1.0 OUTLIER -82.49 112.12 19.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.12 -102.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.613 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -95.62 163.95 12.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 0.795 . . . . 0.0 109.312 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.694 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . . . -137.03 53.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.426 ' C ' ' HD3' ' A' ' 59' ' ' PRO . . . -90.79 -107.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.521 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -134.05 58.67 32.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.4 Cg_endo -74.99 -68.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.522 1.801 . . . . 0.0 111.052 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.521 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -81.96 25.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 110.048 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.742 ' CE1' HD21 ' A' ' 69' ' ' LEU . 8.6 m170 -115.02 -36.03 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mt -103.93 -33.23 8.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 59' ' ' PRO . 3.1 mm? -78.19 -55.3 5.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.505 ' CG2' HD13 ' A' ' 67' ' ' LEU . 46.1 m -70.33 -73.26 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.367 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 p 66.86 37.54 4.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -146.29 -64.33 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 110.268 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.505 HD13 ' CG2' ' A' ' 64' ' ' THR . 3.7 mp -58.5 144.5 78.73 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.669 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.1 Cg_endo -75.03 149.73 37.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.778 . . . . 0.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.856 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -59.38 -23.04 62.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.606 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -157.47 138.28 13.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.583 ' CD1' ' HG2' ' A' ' 68' ' ' PRO . 1.4 m0 -103.78 157.73 16.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.059 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 80' ' ' MET . 2.8 tp60 -138.03 96.87 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.008 HD12 ' N ' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -41.61 125.01 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 1.008 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -121.98 167.69 13.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.949 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.467 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.97 164.75 32.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' A' ' 75' ' ' PRO . 0.2 OUTLIER 82.7 9.65 0.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.325 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 70.91 58.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.448 ' CB ' HD11 ' A' ' 86' ' ' LEU . 71.6 mtt180 -155.26 162.06 40.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.761 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.2 m-30 -117.52 130.26 56.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.102 . . . . 0.0 111.041 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.656 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -103.87 123.94 48.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.487 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 29.1 p30 -79.13 -173.58 3.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -113.77 0.79 14.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.652 ' O ' ' CB ' ' A' ' 84' ' ' SER . 8.3 t-20 -83.14 -50.47 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 2.9 m 145.38 40.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.996 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.679 ' HD2' HD21 ' A' ' 105' ' ' LEU . 34.2 mtt85 -144.42 157.55 44.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.279 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.656 HD22 ' HA ' ' A' ' 80' ' ' MET . 0.4 OUTLIER -123.39 117.59 25.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.69 ' CE2' HD22 ' A' ' 105' ' ' LEU . 7.6 m95 -97.16 143.56 27.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 107.998 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -102.65 133.71 47.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 110.304 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.077 HD12 HD21 ' A' ' 101' ' ' LEU . 17.7 mm -69.63 89.01 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 102' ' ' LEU . 1.7 mm-40 -47.95 -47.47 32.58 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.803 ' CD2' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -173.86 126.37 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.534 1.146 . . . . 0.0 109.561 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.626 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 23.6 t-80 -119.39 114.18 21.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.596 1.185 . . . . 0.0 109.632 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.803 HD22 ' CD2' ' A' ' 91' ' ' HIS . 0.7 OUTLIER -152.12 177.39 10.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.227 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.628 ' CB ' HG22 ' A' ' 8' ' ' VAL . 5.6 ttm -121.35 134.42 55.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 98' ' ' VAL . 49.4 t -137.15 139.46 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 47.42 40.54 11.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.34 25.27 71.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.1 t -129.35 131.03 67.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.591 HE22 ' NH1' ' A' ' 29' ' ' ARG . 63.7 mt-30 -87.64 118.7 27.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.552 ' HG2' HD21 ' A' ' 102' ' ' LEU . 7.7 tt0 -110.25 103.16 11.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.077 HD21 HD12 ' A' ' 89' ' ' ILE . 2.9 tt -99.93 120.74 40.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.581 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.5 mt -96.99 121.7 39.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.781 HD12 HG21 ' A' ' 46' ' ' VAL . 20.6 mt -111.53 131.97 54.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -123.13 125.66 45.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.244 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.69 HD22 ' CE2' ' A' ' 87' ' ' TRP . 20.7 tp -101.37 123.35 45.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.75 158.82 32.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 167.42 27.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 110.992 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 109' ' ' ASP . 5.7 t0 -115.47 158.44 22.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.386 1.053 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 108' ' ' ASP . 1.5 t70 61.67 131.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 109' ' ' ASP . 2.3 mtm-85 57.01 160.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.33 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 7.4 p 169.46 127.43 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 111' ' ' SER . 18.2 Cg_endo -74.97 136.33 20.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.56 1.821 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.839 ' C ' HD12 ' A' ' 114' ' ' ILE . . . 174.49 153.66 10.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.839 HD12 ' C ' ' A' ' 113' ' ' GLY . 4.2 mp -141.74 153.69 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.32 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -143.05 120.87 11.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.626 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -79.82 148.77 31.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.38 157.17 35.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 110.019 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.1 tpt -177.7 131.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.24 157.47 28.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.81 -162.04 7.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 7' ' ' ASP . 1.9 tp10 -172.13 145.47 1.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 0.769 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -157.71 149.56 22.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.636 HG22 ' HB2' ' A' ' 94' ' ' MET . 25.0 t -69.66 168.35 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.507 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -94.07 -62.38 1.06 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.63 143.35 11.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.504 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -74.96 172.65 15.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HB3' ' CG ' ' A' ' 25' ' ' ASP . 18.3 Cg_endo -75.01 95.51 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -44.47 -26.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.768 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -152.63 146.91 25.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.603 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.507 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 66.4 mt -129.03 145.74 51.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.768 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.3 m0 -130.42 110.07 11.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 108.014 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.633 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 10.5 p -71.85 117.7 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.692 ' HB3' HD22 ' A' ' 53' ' ' LEU . 1.8 t60 -113.01 -30.31 7.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.551 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -132.55 152.6 51.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 20' ' ' GLU . 1.1 pp20? -51.16 110.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.259 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 76.59 24.32 67.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.1 mp -131.23 148.13 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.633 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.4 m-85 -143.83 152.07 40.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -107.62 132.41 53.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 23.4 t0 -85.69 179.73 7.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -88.74 23.21 2.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.546 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 12.4 m-85 -151.93 45.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.612 ' CG ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER 49.21 36.75 9.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.86 108.17 17.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 p -74.1 145.7 44.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.419 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.838 ' HB3' HG12 ' A' ' 46' ' ' VAL . 51.9 m95 -124.89 158.33 33.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.948 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -120.54 101.29 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -86.82 104.59 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.339 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.798 HG11 ' NH2' ' A' ' 45' ' ' ARG . 71.5 t -91.97 76.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.494 HG21 ' CG2' ' A' ' 64' ' ' THR . 7.5 p -46.71 105.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -117.45 91.33 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -50.05 120.31 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.318 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 41' ' ' PHE . 0.6 OUTLIER -75.4 160.13 30.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.5 m -46.16 -27.8 1.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 110.375 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -162.24 37.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 110.048 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.736 ' C ' HD22 ' A' ' 42' ' ' LEU . 2.3 m-85 -158.14 -177.34 6.48 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.736 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.3 mm? -122.84 109.33 14.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.536 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -117.89 123.56 46.15 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -115.13 92.28 3.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.798 ' NH2' HG11 ' A' ' 34' ' ' VAL . 6.7 ttm180 -68.6 109.62 3.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.838 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -95.9 113.59 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.568 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.1 tt0 -108.03 128.48 54.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.529 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -86.08 123.94 31.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.948 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -156.86 165.0 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.601 1.188 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -92.76 111.71 23.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 8.4 p -155.7 138.44 10.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.97 134.84 18.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.692 HD22 ' HB3' ' A' ' 18' ' ' HIS . 1.3 mp -78.62 112.28 15.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.29 -114.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.052 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.516 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -76.63 -178.89 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 0.726 . . . . 0.0 109.203 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.427 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . . . -143.78 54.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.217 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.4 -150.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.521 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 23.5 mtt180 -136.15 58.58 22.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.0 Cg_endo -75.04 -60.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.516 1.798 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.1 OUTLIER -67.1 -33.68 76.01 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.478 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 5.0 m170 -59.47 -30.73 68.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mp -99.91 -33.89 10.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.877 HD23 ' N ' ' A' ' 64' ' ' THR . 0.4 OUTLIER -74.0 -62.73 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 109.249 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.877 ' N ' HD23 ' A' ' 63' ' ' LEU . 13.0 m -72.4 -60.59 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.391 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 64' ' ' THR . 60.5 p 60.63 50.63 5.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.483 ' OE1' ' CG2' ' A' ' 35' ' ' VAL . 58.8 mt-30 -136.38 -56.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.1 mp -70.84 140.21 86.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -74.95 167.35 27.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.768 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.459 HD21 ' CE1' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -73.05 -20.95 60.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.545 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 8.1 ttp -159.44 143.37 14.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.488 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -107.78 159.15 16.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.429 ' CB ' ' O ' ' A' ' 80' ' ' MET . 2.5 tp60 -138.23 100.95 4.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.947 HD12 ' N ' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -46.43 121.41 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.947 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -120.47 172.75 4.34 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.928 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.592 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.1 Cg_endo -75.02 179.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.586 1.835 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 2.8 mm-40 66.52 16.32 10.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 63.03 54.31 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.666 ' HB2' HD11 ' A' ' 86' ' ' LEU . 7.8 mtm180 -148.25 160.91 42.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.321 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.707 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.1 m-30 -114.25 134.01 55.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.849 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -104.63 123.11 46.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 1.181 . . . . 0.0 111.041 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.436 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 6.3 p30 -96.09 178.01 5.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.36 2.46 42.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.256 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 84' ' ' SER . 14.0 t-20 -80.18 -2.64 45.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 85.04 39.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.921 ' HB3' HD11 ' A' ' 105' ' ' LEU . 69.6 mtt180 -148.5 158.99 44.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.849 HD22 ' HA ' ' A' ' 80' ' ' MET . 0.9 OUTLIER -119.55 119.32 33.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 1.031 ' CD1' HD13 ' A' ' 105' ' ' LEU . 9.0 m95 -92.39 139.31 30.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 108.071 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.0 tt0 -95.75 127.61 41.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.771 HD12 HD21 ' A' ' 101' ' ' LEU . 6.2 mm -68.42 93.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.436 ' CG ' ' HE3' ' A' ' 104' ' ' LYS . 3.9 mm100 -55.39 -45.7 76.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.607 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -172.12 146.96 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.575 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.571 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 24.7 t-80 -144.0 110.36 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.608 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.408 HD13 HG23 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -150.95 -172.99 4.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.636 ' HB2' HG22 ' A' ' 8' ' ' VAL . 3.0 ttm -116.34 126.47 53.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.408 HG23 HD13 ' A' ' 93' ' ' LEU . 35.5 t -127.26 133.52 67.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 49.57 37.7 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 69.81 17.89 73.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.568 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.1 t -124.55 130.68 73.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.425 0.721 . . . . 0.0 109.323 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -80.18 114.66 19.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.621 ' HG2' HD21 ' A' ' 102' ' ' LEU . 36.2 tt0 -106.88 106.37 16.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.622 1.201 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.771 HD21 HD12 ' A' ' 89' ' ' ILE . 2.4 tt -102.08 125.58 48.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.634 HD23 ' C ' ' A' ' 101' ' ' LEU . 2.9 mt -102.01 127.33 48.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.607 HD12 HG21 ' A' ' 46' ' ' VAL . 13.4 mt -117.72 131.43 56.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.3 tppp? -120.71 129.99 53.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 1.031 HD13 ' CD1' ' A' ' 87' ' ' TRP . 42.2 tp -110.08 122.41 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.459 ' CD1' ' CE1' ' A' ' 41' ' ' PHE . 3.9 mm? -81.94 144.97 52.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 132.26 15.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -75.39 88.18 2.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.61 150.07 22.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -135.69 152.14 50.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 110.254 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.39 95.78 0.27 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.07 34.78 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.36 -168.13 12.8 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.417 1.073 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 114' ' ' ILE . 1.2 tp -85.06 110.08 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 0.0 109.299 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -74.49 107.67 6.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.638 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -41.25 135.81 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 110.311 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.275 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -47.47 173.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 110.024 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -115.35 124.37 51.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.06 111.62 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.29 -70.91 0.13 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -175.31 152.3 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 0.776 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -121.48 148.65 44.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.639 HG22 ' HB2' ' A' ' 94' ' ' MET . 13.2 t -56.02 171.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.224 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.523 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -99.07 -57.77 0.95 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.64 140.24 8.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.34 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.585 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.99 173.26 14.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.963 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.474 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.5 Cg_endo -74.91 93.68 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.079 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.44 -27.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.805 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -152.02 145.89 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.596 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 54.9 mt -127.34 146.38 50.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.805 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.5 m0 -130.55 111.17 12.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.625 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.6 p -70.86 121.8 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.448 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.6 t60 -115.79 -32.54 5.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.598 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.3 158.94 42.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.535 ' CG ' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -53.47 109.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 32' ' ' VAL . . . 76.51 22.07 73.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.587 1.179 . . . . 0.0 111.025 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.769 HG21 HD23 ' A' ' 53' ' ' LEU . 1.5 mp -127.91 143.2 41.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.625 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 10.3 m-85 -140.71 153.63 46.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -108.48 133.72 52.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.44 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 23.1 t0 -87.49 -178.91 6.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -90.85 19.74 5.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.538 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 4.9 m-85 -147.01 44.0 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.538 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 7.5 pt20 48.41 43.82 19.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.402 ' HB2' ' HB3' ' A' ' 25' ' ' ASP . 58.6 mtt180 -121.21 109.2 14.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 p -73.52 143.84 46.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.847 ' HB3' HG12 ' A' ' 46' ' ' VAL . 50.6 m95 -122.5 157.99 30.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.001 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.905 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -119.74 98.37 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -86.72 111.56 20.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.0 t -103.41 102.1 13.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.565 HG21 HG21 ' A' ' 64' ' ' THR . 14.9 p -65.3 123.35 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.82 104.63 2.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.575 ' HG2' HD13 ' A' ' 42' ' ' LEU . 30.7 mt-10 -60.04 158.88 10.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.13 129.91 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 39' ' ' THR . 88.7 m 66.08 23.51 11.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.25 41.05 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.155 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.572 ' C ' HD22 ' A' ' 42' ' ' LEU . 27.4 m-85 -136.9 -171.67 2.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.575 HD13 ' HG2' ' A' ' 37' ' ' GLU . 3.6 mm? -115.6 125.66 53.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.225 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.498 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 12.1 ttp180 -138.57 139.65 38.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 103' ' ' LEU . . . -129.17 107.95 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.53 ' CG ' HD22 ' A' ' 102' ' ' LEU . 2.0 ttm180 -78.11 107.21 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.847 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -91.75 110.96 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.516 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.2 tt0 -107.32 127.53 53.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.621 ' O ' HG13 ' A' ' 98' ' ' VAL . 1.2 tm0? -86.3 120.85 28.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.905 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -154.64 166.12 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.426 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 1.0 OUTLIER -95.38 87.13 4.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.616 HG13 HG12 ' A' ' 49' ' ' ILE . 18.3 m -122.91 139.15 30.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 123.27 7.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.769 HD23 HG21 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -66.38 110.3 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.4 -113.21 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.438 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -59.66 -172.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -160.23 60.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.18 -146.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.54 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 13.7 mtm180 -136.38 57.42 16.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.54 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.4 Cg_endo -74.98 -34.04 4.15 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.509 1.794 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.535 ' HB2' ' CG ' ' A' ' 20' ' ' GLU . 32.4 t -74.0 -43.24 58.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.948 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.494 ' CE1' HG11 ' A' ' 17' ' ' VAL . 7.3 m170 -66.93 -30.13 70.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.571 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 tp -83.74 -32.81 25.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.445 ' C ' HD13 ' A' ' 63' ' ' LEU . 2.3 tm? -83.36 -69.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.565 HG21 HG21 ' A' ' 35' ' ' VAL . 2.8 m -75.22 -59.4 2.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.44 ' O ' ' OG ' ' A' ' 65' ' ' SER . 5.9 p 65.3 60.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.435 ' NE2' HG23 ' A' ' 64' ' ' THR . 31.7 mt-30 -139.62 -52.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.581 HD12 ' N ' ' A' ' 67' ' ' LEU . 4.1 mp -68.1 141.1 93.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.238 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.638 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -75.01 175.48 11.18 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.44 1.758 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -83.98 -14.13 51.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.228 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.596 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -166.44 139.2 3.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.465 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.9 m0 -106.27 154.09 21.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 107.968 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -135.97 94.94 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.711 HD12 ' N ' ' A' ' 74' ' ' TYR . 3.6 tp -41.75 126.61 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.711 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -124.48 -178.36 0.67 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.579 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.03 170.84 19.53 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.525 1.803 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 2.8 mm-40 72.93 12.45 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 65.29 47.94 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.411 ' HB2' HD21 ' A' ' 86' ' ' LEU . 9.2 mtp180 -137.75 161.67 35.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.698 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.5 m-30 -114.21 125.26 53.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.581 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 1.2 ttt -98.0 121.08 39.49 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.383 1.052 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.449 ' OD2' ' N ' ' A' ' 83' ' ' ASN . 5.7 p30 -92.37 178.63 5.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.361 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -100.58 3.04 42.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 84' ' ' SER . 26.6 t30 -80.18 -3.34 48.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 87.14 38.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.97 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.901 ' HB3' HD11 ' A' ' 105' ' ' LEU . 27.0 mtt180 -148.23 161.01 42.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 79' ' ' TYR . 1.3 tt -122.48 117.97 27.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.981 ' CD1' HD13 ' A' ' 105' ' ' LEU . 7.4 m95 -90.43 138.92 31.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 108.056 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.3 tt0 -97.44 122.86 40.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.062 HD12 HD21 ' A' ' 101' ' ' LEU . 6.0 mm -60.73 89.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -48.93 -45.91 42.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.613 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -172.7 138.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.546 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.585 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 21.7 t-80 -135.38 115.88 13.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.577 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.89 -171.66 3.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.639 ' HB2' HG22 ' A' ' 8' ' ' VAL . 2.7 ttm -118.87 125.64 49.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.2 t -128.06 135.11 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.7 38.95 16.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.432 ' C ' ' HE1' ' A' ' 94' ' ' MET . . . 66.84 25.26 73.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.072 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.1 t -132.44 132.44 60.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 109.219 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.43 ' NE2' ' OE1' ' A' ' 48' ' ' GLN . 46.1 mt-30 -82.12 112.95 19.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.553 ' HG2' HD21 ' A' ' 102' ' ' LEU . 33.6 tt0 -105.8 107.56 18.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.062 HD21 HD12 ' A' ' 89' ' ' ILE . 2.1 tt -101.77 121.89 42.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.585 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 3.0 mt -97.66 121.48 39.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.827 HD12 HG21 ' A' ' 46' ' ' VAL . 11.9 mt -110.85 128.63 55.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.693 ' NZ ' HD12 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -119.27 129.27 54.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.981 HD13 ' CD1' ' A' ' 87' ' ' TRP . 43.9 tp -109.4 127.76 54.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.693 HD12 ' NZ ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -114.52 158.32 40.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ASP . 18.2 Cg_endo -75.07 93.7 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' PRO . 1.0 OUTLIER -40.18 111.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -128.46 112.38 14.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.211 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -133.91 152.94 52.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.3 p -88.77 125.26 63.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.998 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.2 7.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.418 1.746 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -152.06 164.94 30.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 0.0 111.023 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 114' ' ' ILE . 23.0 mm -130.46 138.05 54.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -137.98 92.7 2.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.585 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.4 ttm105 -62.28 149.54 41.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.03 53.64 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.729 . . . . 0.0 110.057 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 61.47 110.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.21 146.87 15.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.29 -152.3 1.52 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.096 . . . . 0.0 111.031 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' A' ' 6' ' ' GLU . 7.7 pm0 -167.83 157.04 9.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.96 149.04 49.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 109.389 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.73 HG22 ' HB2' ' A' ' 94' ' ' MET . 58.6 t -44.52 164.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.47 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -76.93 -64.31 2.15 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.398 1.061 . . . . 0.0 111.015 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.2 143.39 10.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.427 0.722 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -75.05 172.42 16.39 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.542 1.812 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.536 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 17.9 Cg_endo -75.11 93.91 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.424 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 20.8 t70 -41.84 -28.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.797 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -152.37 148.12 27.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.52 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 66.5 mt -128.89 145.09 51.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.797 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.7 m0 -130.04 109.76 11.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 108.047 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.606 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.3 p -69.43 119.56 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 53' ' ' LEU . 2.6 t60 -114.27 -32.84 5.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.564 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -129.04 159.1 37.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.496 ' O ' HD12 ' A' ' 22' ' ' ILE . 7.1 pm0 -53.42 111.4 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 73.17 27.28 68.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.8 HG21 HD23 ' A' ' 53' ' ' LEU . 1.7 mp -127.8 158.77 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 0.801 . . . . 0.0 109.328 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 13.0 m-85 -154.23 148.78 26.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.54 133.56 50.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 110.283 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -85.34 178.25 7.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 8.4 tt0 -88.17 23.51 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.549 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 13.5 m-85 -153.02 45.37 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.633 ' CG ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER 50.8 35.92 13.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.272 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.82 114.04 27.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 p -76.99 148.72 36.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.597 1.186 . . . . 0.0 110.416 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.799 ' HB3' HG12 ' A' ' 46' ' ' VAL . 55.4 m95 -132.52 152.73 51.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.889 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -121.77 107.69 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -89.66 113.81 25.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 34' ' ' VAL . 53.6 t -100.34 81.61 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 p -52.74 117.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.419 1.074 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.6 97.62 2.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.95 155.35 36.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.861 ' CD ' HH21 ' A' ' 43' ' ' ARG . 10.2 pt-20 -172.81 149.55 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 39' ' ' THR . 99.6 m 55.99 20.57 4.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t 75.44 41.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.034 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.435 ' C ' HD22 ' A' ' 42' ' ' LEU . 29.0 m-85 -138.22 174.67 10.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.435 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.9 mm? -114.65 97.3 6.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.229 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.861 HH21 ' CD ' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -102.8 121.25 42.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.31 90.31 3.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.469 ' CG ' HD22 ' A' ' 102' ' ' LEU . 3.3 ttm180 -67.21 108.14 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.286 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.799 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.8 t -95.07 112.93 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.8 tt0 -110.33 129.97 55.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.575 ' O ' HG13 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -89.08 123.49 33.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.889 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -148.17 164.07 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.329 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.0 86.07 4.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.582 1.176 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 26.7 m -131.22 140.95 40.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.2 Cg_endo -75.01 135.71 19.42 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.555 1.818 . . . . 0.0 111.002 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.8 HD23 HG21 ' A' ' 22' ' ' ILE . 0.8 OUTLIER -80.1 114.96 19.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.9 -116.97 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.463 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 0.6 OUTLIER -65.24 -172.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 0.8 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.545 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . . . -159.79 64.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.597 1.186 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.406 ' C ' ' HD3' ' A' ' 59' ' ' PRO . . . -111.76 -141.8 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.561 ' O ' HD23 ' A' ' 62' ' ' LEU . 47.5 mtt180 -134.99 58.88 30.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.2 Cg_endo -75.0 -72.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.576 1.83 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.43 ' HB2' ' CB ' ' A' ' 20' ' ' GLU . 3.7 t -52.54 -33.41 45.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.025 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.631 ' CE1' HD21 ' A' ' 69' ' ' LEU . 2.4 m170 -59.63 -42.44 92.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.606 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 58' ' ' ARG . 4.0 mm? -90.7 -17.97 25.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -80.41 -62.95 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.489 HG23 ' NE2' ' A' ' 66' ' ' GLN . 1.2 m -83.4 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.425 ' O ' ' OG ' ' A' ' 65' ' ' SER . 4.8 p 78.05 54.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.489 ' NE2' HG23 ' A' ' 64' ' ' THR . 0.1 OUTLIER -140.0 -58.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 67' ' ' LEU . 4.0 mp -65.3 139.35 97.43 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.677 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.1 Cg_endo -74.99 167.63 26.63 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.631 HD21 ' CE1' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -76.92 -6.9 54.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.563 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -171.03 145.09 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.515 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.4 m0 -112.16 155.93 23.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 107.97 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 80' ' ' MET . 2.3 tp60 -136.05 101.77 4.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.823 HD13 ' CE1' ' A' ' 79' ' ' TYR . 14.3 tp -51.62 122.44 8.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.356 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.585 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -109.42 -179.34 0.66 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.468 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -74.9 169.02 23.53 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 1.1 tt0 80.63 -78.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 1.5 tt0 167.19 53.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.718 ' HB2' HD11 ' A' ' 86' ' ' LEU . 42.6 mtt180 -147.9 160.43 42.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.823 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.2 m-30 -112.72 131.08 55.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.821 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -102.27 124.82 48.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.464 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 31.6 p30 -80.36 -175.07 4.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.314 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.97 2.95 17.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.663 ' O ' ' CB ' ' A' ' 84' ' ' SER . 21.9 t30 -85.46 -49.17 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.663 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 6.6 t 142.78 42.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.67 ' HB3' HD11 ' A' ' 105' ' ' LEU . 34.8 mtt180 -147.91 156.65 42.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.065 . . . . 0.0 110.316 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.821 HD22 ' HA ' ' A' ' 80' ' ' MET . 1.1 tm? -120.02 119.84 34.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.677 ' CZ2' ' HD3' ' A' ' 68' ' ' PRO . 7.9 m95 -94.07 138.47 32.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 108.054 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.2 tt0 -95.43 122.53 38.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.082 HD12 HD21 ' A' ' 101' ' ' LEU . 9.3 mm -63.87 93.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -45.39 67.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.687 ' CE1' HD11 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -171.99 147.18 2.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.663 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 24.1 t-80 -141.53 112.54 7.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.118 . . . . 0.0 109.651 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.657 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -153.47 -171.25 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.73 ' HB2' HG22 ' A' ' 8' ' ' VAL . 2.2 ttm -120.29 122.35 40.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.0 t -124.46 133.73 68.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 51.2 39.02 22.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.646 ' C ' ' HE2' ' A' ' 94' ' ' MET . . . 66.06 25.99 72.27 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.2 t -132.67 131.31 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -81.0 115.17 20.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.562 ' HG2' HD21 ' A' ' 102' ' ' LEU . 33.6 tt0 -108.76 109.86 21.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.082 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -105.51 122.1 45.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.363 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.687 HD11 ' CE1' ' A' ' 91' ' ' HIS . 2.2 mt -97.87 124.95 42.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.753 HD12 HG21 ' A' ' 46' ' ' VAL . 15.6 mt -115.02 128.55 56.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 88' ' ' GLN . 1.5 tppp? -118.1 128.23 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.675 HD22 ' CZ2' ' A' ' 87' ' ' TRP . 39.1 tp -106.68 120.2 41.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 3.6 mm? -72.67 144.87 86.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 106' ' ' LEU . 18.2 Cg_endo -74.89 119.02 5.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 111.017 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -50.6 107.19 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -42.15 123.36 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -138.96 153.66 48.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.328 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.1 t -61.62 116.71 22.03 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.037 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 164.7 32.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.43 -166.63 42.48 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 114' ' ' ILE . 0.6 OUTLIER -96.59 117.09 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.254 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -93.68 102.4 14.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.579 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 66.34 92.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.0 p -147.23 128.31 14.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.78 . . . . 0.0 109.954 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.1 ttt -158.83 157.02 30.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -158.51 155.16 27.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.34 -158.68 0.06 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -175.08 141.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 0.719 . . . . 0.0 110.313 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.72 153.89 38.84 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.62 HG12 ' H ' ' A' ' 9' ' ' GLY . 4.6 t -55.71 174.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.62 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -110.86 -57.23 0.49 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.89 138.37 7.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.43 0.724 . . . . 0.0 109.384 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.546 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.6 Cg_endo -74.96 173.78 13.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.494 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -74.97 93.93 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.548 1.815 . . . . 0.0 111.033 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.438 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 15.6 t70 -43.42 -27.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.805 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -152.35 150.13 29.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.563 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.489 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 60.2 mt -131.04 146.11 52.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.805 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.5 m0 -130.79 110.78 11.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 1.109 . . . . 0.0 108.008 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.593 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 10.7 p -70.01 118.1 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.489 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 1.7 t-160 -113.88 -32.91 5.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.601 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.438 ' NE2' ' H ' ' A' ' 54' ' ' GLY . 1.2 mt-30 -129.86 162.03 29.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.48 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 24.4 tt0 -55.27 112.29 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 70.72 22.29 78.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 20' ' ' GLU . 1.2 mp -124.88 144.79 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.3 m-85 -139.91 152.63 46.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.985 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -108.45 133.2 52.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 29' ' ' ARG . 13.4 t0 -82.06 -177.77 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 1.195 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' CB ' ' CE1' ' A' ' 14' ' ' HIS . 11.9 pt-20 -96.69 19.57 12.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.251 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -143.77 28.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 65.35 47.12 2.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 63.6 mtt180 -125.61 115.55 20.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.335 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.2 p -76.16 147.05 38.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 110.385 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.823 ' HB3' HG12 ' A' ' 46' ' ' VAL . 59.2 m95 -128.74 157.08 42.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.011 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.873 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -123.43 96.79 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.472 ' HB1' ' CD2' ' A' ' 67' ' ' LEU . . . -82.9 99.68 9.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.39 1.056 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.444 HG23 HG12 ' A' ' 32' ' ' VAL . 59.2 t -86.28 81.26 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 35' ' ' VAL . 5.4 p -47.04 101.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -108.1 95.37 5.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.54 103.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.467 ' CB ' ' HB2' ' A' ' 41' ' ' PHE . 0.7 OUTLIER -62.16 161.98 10.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.9 m -48.1 -31.56 5.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.425 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.9 t -157.76 39.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.953 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.748 ' C ' HD22 ' A' ' 42' ' ' LEU . 4.1 m-85 -159.3 -177.79 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.748 HD22 ' C ' ' A' ' 41' ' ' PHE . 2.9 mm? -124.03 102.41 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 0.1 OUTLIER -108.95 128.37 54.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.432 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -117.51 89.87 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.489 ' CG ' HD22 ' A' ' 102' ' ' LEU . 2.6 ttm180 -66.77 106.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.823 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.2 t -93.44 108.17 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.57 ' CD ' HG11 ' A' ' 98' ' ' VAL . 0.9 OUTLIER -105.65 126.77 52.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.525 ' O ' HG13 ' A' ' 98' ' ' VAL . 1.2 tm0? -85.95 120.19 27.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.873 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -154.33 161.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.58 117.09 25.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.443 ' CG2' ' HD2' ' A' ' 52' ' ' PRO . 7.5 p -154.91 139.79 11.96 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.443 ' HD2' ' CG2' ' A' ' 51' ' ' VAL . 18.5 Cg_endo -74.99 132.4 15.4 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.56 1.821 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.429 HD23 HG21 ' A' ' 22' ' ' ILE . 1.3 mt -79.15 108.42 12.64 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 109.377 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.438 ' H ' ' NE2' ' A' ' 19' ' ' GLN . . . -70.85 -113.49 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.489 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -66.25 -171.74 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 0.811 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -155.43 58.42 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.69 -147.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.562 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -136.62 56.37 13.26 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.562 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -75.05 -47.05 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.432 ' CB ' ' HA ' ' A' ' 20' ' ' GLU . 5.2 p -74.28 -0.58 17.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.954 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.575 ' ND1' HD21 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -107.19 -41.63 5.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.6 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.414 HD12 ' HB2' ' A' ' 58' ' ' ARG . 0.9 OUTLIER -87.14 -41.23 13.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' PRO . 2.1 tt -70.22 -65.42 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.492 ' CG2' ' HB2' ' A' ' 66' ' ' GLN . 1.4 m -70.06 -66.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.1 p 71.81 39.51 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.492 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -124.2 -62.63 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.9 mp -66.38 143.16 98.13 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.646 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.96 167.67 26.53 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.482 1.78 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.575 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -74.96 -19.31 60.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.605 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -161.22 140.82 10.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 1.097 . . . . 0.0 111.042 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.493 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.7 m0 -106.51 155.15 19.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 108.001 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -136.62 101.19 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.806 HD13 ' CE1' ' A' ' 79' ' ' TYR . 9.2 tp -51.93 113.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.574 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -101.25 -177.79 0.6 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.984 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.574 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.0 Cg_endo -74.98 173.36 14.64 Favored 'Trans proline' 0 C--N 1.362 1.237 0 O-C-N 124.389 1.731 . . . . 0.0 110.973 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.4 OUTLIER 81.0 -80.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.613 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 16.1 tt0 167.44 50.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.449 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -147.72 164.43 33.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.245 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.806 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.2 m-85 -112.24 123.14 49.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.568 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -97.55 117.66 32.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.477 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 24.7 p-10 -70.83 -168.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -117.56 -0.73 11.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.636 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.7 t-20 -81.84 -51.17 8.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.636 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 2.7 m 146.96 40.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.887 ' HB3' HD11 ' A' ' 105' ' ' LEU . 11.0 mtt180 -145.35 161.35 39.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 78' ' ' ARG . 1.2 tt -126.38 117.33 22.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.926 ' CD1' HD13 ' A' ' 105' ' ' LEU . 9.4 m95 -91.49 134.34 34.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 107.988 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 104' ' ' LYS . 1.9 tt0 -92.1 121.34 33.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.072 HD12 HD21 ' A' ' 101' ' ' LEU . 8.0 mm -63.6 91.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -46.1 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.68 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.02 142.81 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.615 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 23.6 t-80 -136.15 114.83 11.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.67 -170.87 3.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.576 ' HB2' HG22 ' A' ' 8' ' ' VAL . 4.1 ttm -123.68 128.47 49.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' VAL . 24.5 t -127.8 135.69 62.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 47.46 38.49 7.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.441 ' C ' ' HE1' ' A' ' 94' ' ' MET . . . 68.55 25.85 74.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.57 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.2 t -130.61 129.89 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 0.747 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.615 ' CD ' HG13 ' A' ' 8' ' ' VAL . 42.9 mt-30 -81.44 114.23 20.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.621 ' HG2' HD21 ' A' ' 102' ' ' LEU . 32.7 tt0 -107.13 105.58 15.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.072 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -102.09 121.4 42.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.68 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.7 mt -97.51 123.12 41.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.708 HD12 HG21 ' A' ' 46' ' ' VAL . 15.0 mt -113.18 129.31 56.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.5 tppp? -117.03 126.0 52.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.926 HD13 ' CD1' ' A' ' 87' ' ' TRP . 34.6 tp -106.32 117.86 35.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.3 mm? -74.5 143.9 80.0 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 106' ' ' LEU . 18.0 Cg_endo -75.0 159.34 41.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.419 1.747 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -119.25 87.58 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.7 t70 61.85 99.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.356 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -126.24 146.41 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 110' ' ' ARG . 0.2 OUTLIER 61.28 129.29 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.066 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 74.24 4.07 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.429 1.752 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.59 106.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.73 124.13 63.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.633 0.843 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -135.33 92.53 2.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 109.559 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -170.18 150.77 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.28 172.05 8.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.779 . . . . 0.0 110.028 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.3 ttm -177.82 151.17 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 110.938 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.14 155.31 24.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.09 -146.93 1.44 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.407 1.067 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -171.93 138.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 110.331 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.51 150.64 28.01 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.138 . . . . 0.0 109.392 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.909 HG22 ' HB2' ' A' ' 94' ' ' MET . 21.7 t -60.52 169.76 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.523 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -91.9 -62.57 1.18 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.56 145.24 10.7 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.655 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.97 173.88 13.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.807 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.521 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 18.2 Cg_endo -74.99 99.85 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -45.91 -25.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.818 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -157.64 147.1 20.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.62 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 53.1 mt -125.8 146.88 49.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.818 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 16.0 m0 -130.69 111.37 12.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 107.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.912 HG12 HD13 ' A' ' 69' ' ' LEU . 9.6 p -70.6 118.61 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.637 ' CD2' ' O ' ' A' ' 55' ' ' ASP . 1.8 t60 -114.81 -33.5 5.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.553 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -130.3 155.68 45.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HA ' ' HB3' ' A' ' 60' ' ' SER . 2.8 pm0 -50.01 111.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.38 20.37 79.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.529 HG21 HD23 ' A' ' 53' ' ' LEU . 1.1 mp -124.24 138.59 53.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.592 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 13.3 m-85 -134.11 153.01 52.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.77 131.89 54.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' ARG . 17.5 t0 -79.06 178.78 7.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 15.1 tt0 -94.02 19.7 8.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -143.69 23.53 1.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.061 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.98 44.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -122.19 117.62 26.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.273 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.626 ' CG2' HD11 ' A' ' 53' ' ' LEU . 2.9 p -79.98 140.9 36.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.864 ' HB3' HG12 ' A' ' 46' ' ' VAL . 56.2 m95 -124.02 150.51 44.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.849 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.4 t -113.25 88.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -81.63 113.25 19.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 45' ' ' ARG . 26.9 m -112.22 106.56 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.603 HG11 HG23 ' A' ' 64' ' ' THR . 5.4 p -59.01 116.68 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.18 78.92 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.89 105.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.456 ' CB ' ' HB2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -67.99 163.02 23.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -46.44 -26.8 0.92 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -165.28 42.23 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.005 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.859 ' C ' HD22 ' A' ' 42' ' ' LEU . 8.7 m-85 -159.03 -176.96 6.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.859 HD22 ' C ' ' A' ' 41' ' ' PHE . 2.8 mm? -126.56 95.91 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 28.3 ttm180 -107.37 133.74 51.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.419 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -119.29 104.94 10.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.329 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.479 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 5.2 ttm180 -76.95 110.55 11.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.152 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.864 HG12 ' HB3' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -96.97 111.41 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.693 ' HG2' HD12 ' A' ' 49' ' ' ILE . 2.8 tt0 -106.96 133.79 51.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.506 ' OE1' ' CE2' ' A' ' 31' ' ' TRP . 29.3 tp60 -87.5 125.65 34.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.344 1.027 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.849 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -152.94 170.43 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.87 99.03 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 24.1 m -140.52 136.64 16.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -74.98 138.24 22.83 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.626 HD11 ' CG2' ' A' ' 30' ' ' THR . 2.1 mp -93.93 116.35 28.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.407 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -122.3 61.47 0.55 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.549 1.156 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.637 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.8 OUTLIER 153.97 134.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 0.792 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.431 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . . . -134.92 48.33 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.47 -146.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 33.0 mtt180 -135.58 60.83 39.68 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.375 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.467 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -74.94 -90.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.52 1.8 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 64' ' ' THR . 12.6 p -44.89 -26.33 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.473 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 6.0 m170 -60.57 -49.68 76.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.81 -9.25 32.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -89.4 -63.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.603 HG23 HG11 ' A' ' 35' ' ' VAL . 45.3 m -74.66 -60.34 2.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 110.418 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 p 68.1 39.94 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 110.014 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -130.88 -60.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.8 mp -66.06 141.01 97.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.674 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.05 171.38 18.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.912 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -76.52 -21.16 56.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.53 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 2.6 tmm? -158.52 143.97 16.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.485 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -109.22 154.36 22.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 108.037 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -135.81 96.41 3.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 74' ' ' TYR . 1.8 tp -44.53 125.86 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.764 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -125.91 -178.99 0.8 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.56 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -74.94 176.46 9.86 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.451 1.764 . . . . 0.0 111.003 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 52.0 mm-40 66.88 17.6 10.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 59.82 50.76 6.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.61 ' HB2' HD21 ' A' ' 86' ' ' LEU . 16.7 mtt180 -141.68 158.9 43.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.723 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.3 m-30 -111.25 127.67 55.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.583 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -99.76 117.01 33.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 83' ' ' ASN . 6.6 p30 -90.73 -179.93 5.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -99.76 1.76 43.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.5 t-20 -79.14 -2.64 41.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER 84.75 35.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.088 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.839 ' HB3' HD11 ' A' ' 105' ' ' LEU . 1.1 mtt180 -142.07 162.7 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.61 HD21 ' HB2' ' A' ' 78' ' ' ARG . 0.8 OUTLIER -125.4 113.16 17.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 1.007 ' CD1' HD13 ' A' ' 105' ' ' LEU . 7.7 m95 -86.29 140.09 30.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 108.078 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.7 tt0 -97.32 122.79 40.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.024 HD12 HD21 ' A' ' 101' ' ' LEU . 5.8 mm -63.47 92.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.89 -44.37 66.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.666 ' CE1' HD11 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.07 142.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.622 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.655 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 21.3 t-80 -140.52 113.28 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.501 ' CD1' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -159.25 -176.72 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.909 ' HB2' HG22 ' A' ' 8' ' ' VAL . 2.5 ttm -110.0 124.06 50.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.068 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.469 HG23 HD23 ' A' ' 93' ' ' LEU . 17.9 t -124.17 132.99 70.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 49.7 37.98 14.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.379 1.049 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.401 ' C ' ' HE1' ' A' ' 94' ' ' MET . . . 68.88 25.21 75.43 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.1 t -133.62 130.6 56.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.424 ' HG2' ' CG1' ' A' ' 8' ' ' VAL . 7.5 mt-30 -79.97 115.03 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.562 ' HG2' HD21 ' A' ' 102' ' ' LEU . 33.8 tt0 -109.56 107.77 17.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.024 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -102.6 122.06 43.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.666 HD11 ' CE1' ' A' ' 91' ' ' HIS . 2.6 mt -98.26 125.96 43.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.723 HD12 HG21 ' A' ' 46' ' ' VAL . 23.3 mt -116.58 125.8 52.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -114.98 128.22 56.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 109.225 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 1.007 HD13 ' CD1' ' A' ' 87' ' ' TRP . 32.6 tp -108.18 127.92 54.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 106' ' ' LEU . 5.1 mp -89.81 152.61 46.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 149.98 37.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.431 1.753 . . . . 0.0 111.032 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -85.89 109.84 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.36 136.39 5.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.07 153.2 51.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.227 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.26 129.18 2.77 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.9 35.94 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 114' ' ' ILE . . . -147.82 94.94 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.571 1.169 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.549 ' O ' HG23 ' A' ' 114' ' ' ILE . 8.5 tp 35.88 87.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.439 0.729 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.52 ' O ' ' CD2' ' A' ' 115' ' ' HIS . 33.8 p-80 -95.05 88.06 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.61 140.4 26.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 t -168.68 -63.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.42 122.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 110.972 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.08 148.66 17.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.78 120.41 4.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -71.42 155.18 40.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.78 . . . . 0.0 110.305 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.99 149.07 7.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.511 HG22 ' HB2' ' A' ' 94' ' ' MET . 24.3 t -62.88 168.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.507 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -89.14 -63.65 1.31 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.72 141.67 9.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.807 . . . . 0.0 109.316 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.06 173.41 14.55 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.471 1.774 . . . . 0.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.2 Cg_endo -75.02 96.56 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -43.72 -27.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.809 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -155.02 148.59 25.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 66.9 mt -128.04 147.15 50.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.809 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.8 m0 -130.7 111.02 11.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 107.985 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.814 HG12 HD13 ' A' ' 69' ' ' LEU . 7.0 p -71.17 120.11 18.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.404 1.065 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.537 ' CD2' ' HB3' ' A' ' 53' ' ' LEU . 1.6 t60 -114.97 -33.27 5.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.625 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.57 157.31 43.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -52.75 112.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.299 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.469 ' C ' HD12 ' A' ' 22' ' ' ILE . . . 73.73 29.38 63.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.587 1.18 . . . . 0.0 111.068 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.0 mp -134.31 151.98 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.624 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 14.0 m-85 -148.97 150.01 32.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 16' ' ' TRP . 2.2 ttp180 -105.07 132.88 50.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' ARG . 14.0 t0 -80.16 178.98 7.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.553 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 11.5 tt0 -92.95 23.97 3.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -150.47 30.46 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 65.57 42.35 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.343 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -117.84 115.18 24.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.9 p -76.82 145.74 38.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.454 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.801 ' HB3' HG12 ' A' ' 46' ' ' VAL . 59.6 m95 -129.22 159.13 37.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 108.009 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.9 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -126.36 101.35 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -87.83 119.96 28.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 45' ' ' ARG . 98.6 t -111.32 99.7 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.7 p -62.23 120.9 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -145.22 96.32 2.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.09 . . . . 0.0 110.329 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 12.3 pt-20 -70.95 133.01 46.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 41' ' ' PHE . 6.9 mt-10 -141.96 142.65 33.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.488 ' HB ' ' CE2' ' A' ' 41' ' ' PHE . 99.9 m 53.01 25.1 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.455 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 m 76.92 42.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.866 ' C ' HD22 ' A' ' 42' ' ' LEU . 24.6 m-85 -127.62 179.59 5.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.974 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.866 HD22 ' C ' ' A' ' 41' ' ' PHE . 2.2 mm? -125.51 90.73 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.625 HH21 ' HZ1' ' A' ' 104' ' ' LYS . 24.8 ttm180 -102.08 126.28 48.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.443 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -113.44 84.96 2.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.575 ' HG3' HD22 ' A' ' 102' ' ' LEU . 6.3 ttm180 -60.47 108.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.153 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.801 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.4 t -96.5 115.72 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.584 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.1 tt0 -111.47 126.9 55.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.068 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.469 ' C ' HG23 ' A' ' 49' ' ' ILE . 1.1 tm0? -85.5 119.4 25.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.9 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -154.48 160.85 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.08 114.3 25.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.488 HG23 ' HD2' ' A' ' 52' ' ' PRO . 6.1 p -153.28 139.04 11.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.488 ' HD2' HG23 ' A' ' 51' ' ' VAL . 18.5 Cg_endo -75.0 126.1 9.75 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.449 1.763 . . . . 0.0 110.964 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.537 ' HB3' ' CD2' ' A' ' 18' ' ' HIS . 4.6 mt -68.81 112.56 5.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.12 -95.28 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.445 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 4.5 m-20 -77.26 -174.43 3.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.4 56.91 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.65 -148.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.53 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 29.5 mtt180 -138.3 57.78 13.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.2 Cg_endo -75.01 -30.29 7.3 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.569 1.826 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.1 OUTLIER -76.57 -43.63 38.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.832 ' CE1' HD22 ' A' ' 69' ' ' LEU . 8.0 m170 -66.92 -29.98 70.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 109.61 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 mt -80.4 -37.84 31.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 tp -81.31 -70.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 60' ' ' SER . 1.8 m -71.13 -58.83 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 5.6 p 63.54 57.38 1.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -135.76 -54.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.8 mp -69.41 138.37 88.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.664 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.99 175.12 11.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.525 1.803 . . . . 0.0 111.053 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.832 HD22 ' CE1' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -81.0 -22.89 39.07 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.61 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -154.97 142.16 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.518 ' CE2' HD13 ' A' ' 103' ' ' LEU . 1.5 m0 -108.44 157.71 18.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' MET . 1.9 tp60 -137.68 103.47 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.847 HD13 ' HE1' ' A' ' 79' ' ' TYR . 10.4 tp -54.12 113.63 1.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.575 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.76 -178.73 0.76 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.532 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.03 173.18 14.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.437 1.756 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.6 OUTLIER 79.0 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.416 1.072 . . . . 0.0 110.311 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 43.4 tt0 171.5 48.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.639 ' CB ' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -145.49 166.51 25.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.847 ' HE1' HD13 ' A' ' 73' ' ' LEU . 2.2 m-85 -115.42 135.24 54.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.785 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -106.01 127.32 53.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 81' ' ' ASP . 36.2 p30 -93.6 -174.33 3.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.62 -3.12 18.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.525 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.1 t-20 -80.73 -3.46 50.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 1.1 t 87.79 39.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.846 ' HB3' HD11 ' A' ' 105' ' ' LEU . 29.2 mtt180 -143.34 149.26 37.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.785 HD22 ' HA ' ' A' ' 80' ' ' MET . 1.0 OUTLIER -114.48 120.57 40.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.893 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.5 m95 -95.71 135.09 37.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 104' ' ' LYS . 1.3 tt0 -91.81 125.08 36.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.98 ' CD1' HD21 ' A' ' 101' ' ' LEU . 8.6 mm -64.15 85.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 109.322 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.412 ' CG ' ' HB2' ' A' ' 104' ' ' LYS . 2.8 mm-40 -47.43 -46.98 26.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.642 ' CD2' HD21 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -172.96 137.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.592 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 22.4 t-80 -132.93 114.37 13.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 109.604 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.642 HD21 ' CD2' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -152.95 -171.22 3.86 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.511 ' HB2' HG22 ' A' ' 8' ' ' VAL . 5.3 ttm -127.89 133.51 49.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 98' ' ' VAL . 44.9 t -134.47 138.07 50.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.6 mmp_? 48.34 38.3 10.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.419 ' C ' ' HE1' ' A' ' 94' ' ' MET . . . 67.9 24.84 74.36 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.584 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.1 t -128.95 132.04 67.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -84.57 117.48 23.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.56 ' HG2' HD21 ' A' ' 102' ' ' LEU . 2.2 tt0 -109.06 103.21 12.18 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.98 HD21 ' CD1' ' A' ' 89' ' ' ILE . 3.3 tt -101.33 120.87 40.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.628 ' N ' HD23 ' A' ' 102' ' ' LEU . 2.1 mt -97.7 122.39 40.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.612 HD12 HG21 ' A' ' 46' ' ' VAL . 21.9 mt -111.95 126.53 55.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.625 ' HZ1' HH21 ' A' ' 43' ' ' ARG . 1.2 tppt? -116.92 125.2 51.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.893 HD13 ' CD1' ' A' ' 87' ' ' TRP . 31.8 tp -103.41 112.37 25.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.753 ' H ' HD23 ' A' ' 106' ' ' LEU . 2.4 pt? -91.88 158.65 39.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.11 11.2 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 89.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -141.77 153.48 44.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -136.39 153.63 51.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 t 45.95 82.43 0.23 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 164.76 32.7 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -172.29 62.32 0.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 16.3 mm -100.9 111.94 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.794 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -140.58 120.65 13.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.618 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.83 141.89 58.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.078 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.25 113.62 16.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 177.54 130.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.75 106.59 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 144.04 109.02 0.65 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -172.35 155.0 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -154.66 149.3 26.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.75 HG22 ' HB2' ' A' ' 94' ' ' MET . 16.9 t -67.17 170.68 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.514 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -101.95 -54.5 0.91 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.456 1.097 . . . . 0.0 111.063 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.25 132.58 4.35 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.462 0.743 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -74.99 172.63 15.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.568 1.825 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.525 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.2 Cg_endo -75.07 92.14 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.464 1.771 . . . . 0.0 111.034 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.512 ' HA ' ' CB ' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -43.5 -26.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.802 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -150.23 148.07 28.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.621 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.5 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 62.3 mt -130.63 147.24 52.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.802 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.2 m0 -131.8 110.23 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.018 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.791 HG12 HD13 ' A' ' 69' ' ' LEU . 9.8 p -70.32 119.09 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.653 ' NE2' ' HB2' ' A' ' 56' ' ' ALA . 1.8 t60 -113.7 -27.58 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.05 159.34 42.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -54.21 111.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 110.384 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 73.5 22.85 78.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.708 HG21 HD23 ' A' ' 53' ' ' LEU . 1.2 mp -127.67 142.82 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.0 m-85 -137.84 155.32 49.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 111.023 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -110.32 129.85 55.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.476 ' CB ' ' HB2' ' A' ' 29' ' ' ARG . 21.4 t0 -80.74 177.09 9.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.39 21.18 4.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -144.4 28.7 1.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 63.71 46.07 4.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.476 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -125.66 114.35 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.358 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.437 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 5.4 p -74.98 142.7 43.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.426 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.815 ' HB3' HG12 ' A' ' 46' ' ' VAL . 49.8 m95 -122.09 153.95 37.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.939 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -116.44 100.55 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -86.51 103.78 15.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.3 t -93.54 84.6 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -47.46 110.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.247 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.21 92.64 3.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.078 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.73 112.84 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -70.01 161.51 29.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.7 m -47.59 -31.94 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.079 . . . . 0.0 110.359 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.27 39.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' C ' HD22 ' A' ' 42' ' ' LEU . 8.9 m-85 -161.29 179.99 7.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.441 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.9 mm? -118.96 115.62 24.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 49.3 ttp180 -121.09 129.14 53.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.91 93.67 4.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -69.58 107.38 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.815 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.4 t -95.75 111.81 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -107.72 130.25 54.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.478 ' NE2' ' CD1' ' A' ' 31' ' ' TRP . 0.3 OUTLIER -88.02 121.21 30.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.342 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.939 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -150.24 163.92 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.481 HE21 ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -96.25 93.22 6.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.336 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 11.6 m -136.47 140.14 31.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.5 Cg_endo -75.02 136.96 21.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.708 HD23 HG21 ' A' ' 22' ' ' ILE . 1.2 mp -81.45 114.07 19.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.581 1.176 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.85 -103.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 32.4 m-20 -77.3 -176.39 4.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.653 ' HB2' ' NE2' ' A' ' 18' ' ' HIS . . . -158.87 63.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.411 ' C ' ' HD3' ' A' ' 59' ' ' PRO . . . -112.6 -138.81 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HB3' HD12 ' A' ' 62' ' ' LEU . 1.9 mtm180 -131.45 63.62 70.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.411 ' HD3' ' C ' ' A' ' 57' ' ' ALA . 17.9 Cg_endo -74.99 -77.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.479 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -63.48 -29.98 71.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.924 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.494 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.2 m170 -58.4 -28.67 65.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.608 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.473 HD12 ' HB3' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -107.44 -30.01 8.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -75.31 -58.75 3.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.614 HG23 ' OE1' ' A' ' 66' ' ' GLN . 16.7 m -72.77 -66.1 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.406 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.7 p 71.03 38.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.059 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.614 ' OE1' HG23 ' A' ' 64' ' ' THR . 2.6 mt-30 -125.78 -63.11 1.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 110.244 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.9 mp -65.23 140.66 97.95 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.676 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.5 Cg_endo -74.88 164.46 33.44 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.791 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -72.27 -17.93 61.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.523 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 1.9 tmm? -160.92 143.98 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.504 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -109.84 154.56 22.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 80' ' ' MET . 2.8 tp60 -133.86 97.02 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.842 HD13 ' CE1' ' A' ' 79' ' ' TYR . 13.5 tp -46.86 117.85 1.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.581 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -102.59 -179.15 0.74 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.01 165.6 30.95 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 2.8 tt0 82.4 -76.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.553 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 2.2 tt0 168.43 50.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.513 ' CB ' HD11 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -142.05 161.13 38.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.842 ' CE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-85 -115.19 119.32 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.581 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -93.31 129.43 39.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 5.3 p30 -100.09 177.73 5.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -98.67 1.47 46.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 84' ' ' SER . 19.3 t-20 -79.87 -5.4 55.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 1.8 t 88.47 32.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 109.977 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.686 ' HB3' HD11 ' A' ' 105' ' ' LEU . 2.3 mtt180 -137.48 156.1 48.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.513 HD11 ' CB ' ' A' ' 78' ' ' ARG . 2.4 tm? -119.78 117.22 27.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.862 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 9.8 m95 -91.31 139.5 30.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 107.996 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.575 ' N ' ' O ' ' A' ' 104' ' ' LYS . 2.7 tt0 -99.88 120.79 40.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.035 HD12 HD21 ' A' ' 101' ' ' LEU . 8.8 mm -60.43 95.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.394 1.059 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -52.78 -47.45 67.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.616 ' CE1' ' CD1' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -173.55 135.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.617 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 24.5 t-80 -127.43 115.67 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.612 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.578 HD22 ' CD2' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -150.55 177.57 9.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.75 ' HB2' HG22 ' A' ' 8' ' ' VAL . 5.5 ttm -128.08 139.42 52.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 111.028 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 98' ' ' VAL . 77.1 t -145.64 141.85 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 47.5 39.09 8.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.36 26.12 72.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.482 ' CG1' ' OE1' ' A' ' 47' ' ' GLN . 2.0 t -128.81 132.77 67.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.491 ' HG3' ' CE ' ' A' ' 94' ' ' MET . 6.2 mt-30 -97.44 118.07 33.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 110.307 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.574 ' HG2' HD21 ' A' ' 102' ' ' LEU . 42.8 tt0 -108.07 104.38 13.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.035 HD21 HD12 ' A' ' 89' ' ' ILE . 2.2 tt -100.17 120.13 39.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.616 ' CD1' ' CE1' ' A' ' 91' ' ' HIS . 2.5 mt -96.35 120.37 36.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.222 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.811 HD12 HG21 ' A' ' 46' ' ' VAL . 14.8 mt -110.7 130.9 55.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.575 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -119.27 131.31 55.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.862 HD22 ' CZ2' ' A' ' 87' ' ' TRP . 24.7 tp -110.19 123.58 50.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.1 mm? -82.99 145.02 48.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 128.19 11.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.548 1.815 . . . . 0.0 111.032 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -75.26 80.27 2.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -173.84 139.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.398 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.87 153.3 51.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.92 101.67 0.13 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 135.95 19.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -118.67 -159.83 11.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.2 mt -138.29 150.59 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.246 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -168.87 131.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.682 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -147.37 132.5 18.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.366 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -61.44 176.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.2 tpt -169.75 87.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.25 157.72 12.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.8 -135.71 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -170.18 156.44 5.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.78 . . . . 0.0 110.299 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.92 140.72 48.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.226 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.753 HG22 ' HB2' ' A' ' 94' ' ' MET . 14.1 t -46.6 171.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.531 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -99.47 -59.63 0.87 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.02 141.85 9.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.314 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.01 173.87 13.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.1 Cg_endo -75.07 93.85 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -41.64 -30.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.742 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -150.6 148.33 28.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.594 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 59.5 mt -128.9 147.57 50.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.742 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 14.0 m0 -131.74 111.65 11.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 107.941 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.6 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 8.0 p -71.43 120.1 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.665 ' HB3' HD22 ' A' ' 53' ' ' LEU . 1.8 t-160 -116.2 -34.31 4.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.58 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.615 ' NE2' ' H ' ' A' ' 54' ' ' GLY . 1.0 OUTLIER -128.24 161.25 29.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.599 ' O ' HD12 ' A' ' 22' ' ' ILE . 13.2 tt0 -54.94 111.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 71.96 27.96 69.54 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.697 HG21 HD23 ' A' ' 53' ' ' LEU . 2.2 mp -128.25 157.76 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.0 m-85 -154.06 148.06 25.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -104.17 131.68 51.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -80.82 178.84 8.13 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.424 1.078 . . . . 0.0 109.339 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.48 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 14.4 pt-20 -91.73 19.01 6.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.48 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 16.1 m-85 -147.18 38.31 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 57.79 44.2 20.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -120.27 113.79 20.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.2 p -77.8 143.18 38.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.812 ' HB3' HG12 ' A' ' 46' ' ' VAL . 58.5 m95 -126.57 157.68 38.21 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.896 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -124.83 98.46 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.19 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -84.53 111.36 19.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.432 HG11 ' NH2' ' A' ' 45' ' ' ARG . 69.2 t -100.31 98.52 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.645 HG21 ' OE1' ' A' ' 66' ' ' GLN . 7.6 p -67.47 124.12 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -159.46 99.51 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' CB ' ' O ' ' A' ' 41' ' ' PHE . 2.3 pm0 -50.23 156.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.266 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' O ' ' HB ' ' A' ' 39' ' ' THR . 1.3 mm-40 -110.44 61.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.471 ' O ' ' CB ' ' A' ' 40' ' ' SER . 24.8 m 73.8 -6.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 39' ' ' THR . 0.6 OUTLIER 161.57 53.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.046 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.695 ' C ' HD22 ' A' ' 42' ' ' LEU . 3.5 m-85 -159.34 -178.09 6.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.695 HD22 ' C ' ' A' ' 41' ' ' PHE . 3.8 mm? -124.81 84.27 2.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.516 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 7.1 ttp180 -97.8 116.53 30.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.443 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -109.23 87.13 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.452 ' CG ' HD22 ' A' ' 102' ' ' LEU . 6.5 ttm180 -63.82 106.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.812 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.3 t -93.26 110.43 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.529 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.0 OUTLIER -108.61 127.05 53.62 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.475 ' O ' HG13 ' A' ' 98' ' ' VAL . 1.3 tm0? -85.44 120.31 26.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.286 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.896 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -154.32 163.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.459 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -87.69 114.07 23.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.411 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 7.7 p -154.71 134.37 7.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.1 Cg_endo -75.03 113.92 3.9 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.768 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.697 HD23 HG21 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -59.19 107.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.615 ' H ' ' NE2' ' A' ' 19' ' ' GLN . . . -61.74 -110.74 0.01 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.617 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 8.3 t0 -74.02 -177.51 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 0.723 . . . . 0.0 109.338 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 18' ' ' HIS . . . -144.29 54.96 1.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.05 -143.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.504 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 2.6 mtt-85 -136.01 59.49 28.68 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.504 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.1 Cg_endo -75.08 -37.07 2.15 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.502 1.791 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.48 21.4 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.427 ' O ' ' CA ' ' A' ' 65' ' ' SER . 8.8 m-70 -133.37 -47.2 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -49.42 14.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.17 -61.44 1.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.513 HG23 ' OE1' ' A' ' 66' ' ' GLN . 30.5 m -72.48 -65.0 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.36 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.427 ' CA ' ' O ' ' A' ' 61' ' ' HIS . 5.2 p 65.83 40.18 4.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.645 ' OE1' HG21 ' A' ' 35' ' ' VAL . 58.9 mt-30 -126.35 -60.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.8 mp -67.05 141.87 96.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.652 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.3 Cg_endo -75.05 169.02 23.52 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.513 1.797 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.842 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -74.91 -22.4 58.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.585 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 2.3 ttt -157.75 144.01 17.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.51 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.6 m0 -109.05 155.38 20.99 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -136.7 95.68 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.846 HD13 ' HE1' ' A' ' 79' ' ' TYR . 11.6 tp -46.81 116.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.597 ' CE2' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -102.46 -177.74 0.58 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.05 -176.88 3.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.502 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.2 OUTLIER 70.31 -79.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.539 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 6.7 tt0 167.15 54.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.651 ' HB2' HD21 ' A' ' 86' ' ' LEU . 26.5 mtt85 -153.47 164.6 37.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.846 ' HE1' HD13 ' A' ' 73' ' ' LEU . 2.2 m-30 -111.65 125.62 54.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 111.027 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.597 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -100.77 116.1 31.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 111.032 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -87.02 -173.24 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -106.97 1.91 24.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.8 t-20 -82.53 1.21 39.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.7 OUTLIER 81.68 40.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.531 ' HB3' HD11 ' A' ' 105' ' ' LEU . 13.2 mmt85 -144.26 160.97 40.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.651 HD21 ' HB2' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -126.87 111.18 13.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.735 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 8.4 m95 -86.22 135.45 33.56 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.585 1.178 . . . . 0.0 107.918 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 104' ' ' LYS . 1.8 tt0 -93.76 118.33 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.256 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.099 HD12 HD21 ' A' ' 101' ' ' LEU . 9.6 mm -58.85 90.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -45.77 52.89 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.607 ' CE1' ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -172.48 140.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.585 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 22.5 t-80 -135.77 113.93 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.576 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.519 HD21 ' CD2' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -153.65 -171.37 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.357 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.753 ' HB2' HG22 ' A' ' 8' ' ' VAL . 3.7 ttm -121.57 129.11 52.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' VAL . 39.7 t -132.74 138.76 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 47.41 39.85 9.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.13 26.48 71.53 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.529 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.2 t -133.61 132.84 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -83.89 115.62 22.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.594 ' HG2' HD21 ' A' ' 102' ' ' LEU . 33.1 tt0 -107.53 107.31 18.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.099 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -101.88 121.98 43.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.607 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 2.9 mt -97.73 122.93 41.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.711 HD12 HG21 ' A' ' 46' ' ' VAL . 16.7 mt -113.9 127.54 56.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.362 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -117.05 127.27 53.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.735 HD22 ' CZ2' ' A' ' 87' ' ' TRP . 21.6 tp -107.1 115.96 31.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mt -95.58 156.51 37.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 154.7 42.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.797 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.54 153.45 50.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 50.9 t0 62.84 91.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.376 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.18 153.28 51.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.23 111.22 3.67 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 160.36 40.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.85 107.23 0.46 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.498 ' O ' HG23 ' A' ' 114' ' ' ILE . 1.6 tp -79.86 110.07 15.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.732 . . . . 0.0 109.233 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.51 87.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.641 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.46 144.88 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.932 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.44 73.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.968 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.4 ptm -146.52 108.74 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.04 157.38 28.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.21 60.49 2.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.103 . . . . 0.0 111.018 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -63.67 157.9 22.86 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 0.743 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.8 153.37 24.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.549 HG12 ' N ' ' A' ' 9' ' ' GLY . 97.2 t -52.17 167.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.549 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -94.06 -60.39 1.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.26 139.42 11.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 109.239 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.697 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -74.93 174.02 13.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.444 1.76 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.523 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.3 Cg_endo -74.99 96.5 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.568 1.825 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -43.77 -28.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.793 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -152.89 149.49 28.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.589 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.513 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 70.1 mt -129.57 145.82 51.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.793 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.3 m0 -130.44 110.87 11.79 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.771 HG12 HD13 ' A' ' 69' ' ' LEU . 7.2 p -71.9 121.18 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.878 ' CG ' HD12 ' A' ' 53' ' ' LEU . 1.7 t-160 -118.5 -33.3 4.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 109.595 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -124.44 165.32 17.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.29 109.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 72.1 30.11 65.78 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.436 1.085 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.1 mp -125.51 160.63 31.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 109.263 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 12.0 m-85 -155.35 142.71 19.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -99.17 132.6 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' CG ' ' HB3' ' A' ' 12' ' ' PRO . 23.6 t0 -84.54 178.62 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -89.78 24.63 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.538 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 11.4 m-85 -156.34 48.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.158 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.538 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 12.4 pt20 48.38 42.51 18.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.342 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.47 HH21 HE21 ' A' ' 28' ' ' GLN . 0.0 OUTLIER -116.8 110.73 18.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.534 ' CG2' HD21 ' A' ' 53' ' ' LEU . 2.1 p -78.84 140.25 38.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.819 ' HB3' HG12 ' A' ' 46' ' ' VAL . 49.8 m95 -122.68 155.92 35.44 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.962 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -122.95 95.19 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -79.58 105.35 10.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.414 HG23 HG12 ' A' ' 32' ' ' VAL . 75.7 t -93.68 92.06 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 35' ' ' VAL . 7.6 p -60.17 111.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.71 100.6 4.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -68.58 145.82 53.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.249 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.51 153.18 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 39' ' ' THR . 73.4 m 53.28 36.81 23.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.7 p 55.75 38.83 30.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.079 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.401 ' C ' HD22 ' A' ' 42' ' ' LEU . 12.5 m-85 -139.6 174.57 10.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.401 HD22 ' C ' ' A' ' 41' ' ' PHE . 4.2 mm? -115.31 102.88 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 25.2 ttp85 -104.26 117.68 34.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.416 ' HB1' HD21 ' A' ' 67' ' ' LEU . . . -108.34 90.44 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.473 ' CG ' HD22 ' A' ' 102' ' ' LEU . 3.6 ttm180 -68.13 107.48 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.819 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.7 t -95.09 111.3 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' A' ' 32' ' ' VAL . 1.4 tt0 -114.3 130.29 56.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.538 ' O ' HG13 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -87.77 125.83 34.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.356 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.962 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -148.74 161.85 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.533 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -81.16 110.25 16.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 50' ' ' GLN . 21.3 m -156.43 131.99 5.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -74.99 145.18 31.16 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 111.041 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.878 HD12 ' CG ' ' A' ' 18' ' ' HIS . 1.2 mm? -69.45 117.13 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -132.16 113.29 1.28 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.605 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 4.5 m-20 80.01 137.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.368 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -136.35 50.9 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.0 -146.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.475 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 62.7 mtt-85 -134.55 60.88 45.54 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 18.4 Cg_endo -74.94 -63.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.469 1.773 . . . . 0.0 110.998 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -84.77 13.77 5.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.992 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -104.84 -30.21 10.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.604 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -114.53 -32.88 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' PRO . 4.5 tt -72.03 -49.42 36.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.387 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.533 HG22 ' H ' ' A' ' 66' ' ' GLN . 1.8 m -77.97 -65.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.406 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 p 70.54 36.74 1.61 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.398 1.061 . . . . 0.0 110.024 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.533 ' H ' HG22 ' A' ' 64' ' ' THR . 45.1 mm-40 -128.77 -65.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 67' ' ' LEU . 4.2 mp -65.91 140.34 97.14 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.4 Cg_endo -74.92 172.45 16.31 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.441 1.758 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.771 HD13 HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -78.74 -22.34 46.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.563 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -156.43 141.92 17.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.506 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.5 m0 -108.17 158.81 17.11 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -140.7 101.69 4.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 0.0 110.25 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 74' ' ' TYR . 3.7 tp -51.04 121.37 5.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.619 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -109.04 -177.17 0.45 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.582 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.99 -177.73 3.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.567 1.825 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 1.0 OUTLIER 70.56 -77.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 76' ' ' GLU . 6.5 pt-20 164.65 50.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.611 ' HB2' HD21 ' A' ' 86' ' ' LEU . 7.3 mtp180 -147.86 161.25 41.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.646 ' CD1' HD11 ' A' ' 89' ' ' ILE . 2.3 m-30 -107.89 125.81 51.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.573 ' SD ' ' CE2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -100.52 115.26 29.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' A' ' 81' ' ' ASP . 33.8 p30 -82.78 -174.79 5.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -107.91 -3.06 19.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 84' ' ' SER . 36.7 t30 -80.08 -3.01 46.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER 88.3 39.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.059 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.713 ' HD3' HD21 ' A' ' 105' ' ' LEU . 1.4 mtp180 -142.68 151.85 41.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.107 . . . . 0.0 110.283 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -119.78 115.1 23.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.688 ' CE2' HD22 ' A' ' 105' ' ' LEU . 8.6 m95 -90.55 137.98 31.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 108.063 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 90' ' ' GLN . 4.6 tt0 -94.19 118.87 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.064 HD12 HD21 ' A' ' 101' ' ' LEU . 10.3 mm -57.33 89.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 102' ' ' LEU . 0.4 OUTLIER -48.95 -46.96 44.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.605 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -173.18 139.65 0.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.649 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.697 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 24.8 t-80 -135.62 112.28 10.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.616 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.538 HD13 HG23 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -153.93 -172.44 4.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.513 ' HB2' HG22 ' A' ' 8' ' ' VAL . 2.3 ttm -110.44 124.16 51.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.538 HG23 HD13 ' A' ' 93' ' ' LEU . 14.9 t -125.62 129.5 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 48.28 37.34 8.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.245 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 68.37 24.63 74.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 48' ' ' GLN . 2.2 t -133.22 108.84 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.439 0.729 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.634 ' HG3' ' CH2' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -61.15 112.82 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.511 ' HG2' HD21 ' A' ' 102' ' ' LEU . 31.1 tt0 -105.83 117.61 34.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.064 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -107.27 122.96 47.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.365 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.588 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 3.0 mt -99.71 122.5 42.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.6 HD12 HG21 ' A' ' 46' ' ' VAL . 21.4 mt -111.83 130.46 55.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.34 119.14 32.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.713 HD21 ' HD3' ' A' ' 85' ' ' ARG . 13.2 tp -95.57 118.89 33.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.52 159.79 29.63 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.606 1.191 . . . . 0.0 109.312 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 123.56 8.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -40.14 109.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.55 139.37 35.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.82 152.31 50.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.2 t 64.96 127.05 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 115.58 4.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.444 1.76 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 114' ' ' ILE . . . -138.31 -61.43 0.05 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 113' ' ' GLY . 0.6 OUTLIER 38.95 75.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 109.32 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -75.82 107.28 7.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.608 1.192 . . . . 0.0 109.547 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -65.16 151.2 46.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.946 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 3' ' ' MET . 44.5 t -121.72 -41.25 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.985 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.465 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 78.43 82.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.943 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 162.22 10.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.66 -132.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 7' ' ' ASP . 2.1 tp10 -159.23 138.5 11.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.269 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 26.5 m-20 -87.85 167.48 13.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 94' ' ' MET . 34.5 t -42.32 162.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.43 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -81.33 -66.25 1.62 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.32 141.27 8.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.576 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.03 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.783 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG3' ' CE2' ' A' ' 31' ' ' TRP . 18.6 Cg_endo -74.91 94.69 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . 3.4 t70 -42.82 -28.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.787 ' CE1' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -151.24 149.38 29.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.492 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 63.5 mt -130.36 147.1 52.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.787 ' CH2' ' CE1' ' A' ' 14' ' ' HIS . 13.0 m0 -131.55 110.61 11.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.602 ' HB ' ' CE1' ' A' ' 23' ' ' TYR . 14.9 p -70.17 118.64 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.287 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.498 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 1.4 t60 -113.89 -32.06 6.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.03 156.21 44.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.431 ' HA ' ' HB3' ' A' ' 60' ' ' SER . 9.6 tt0 -54.24 110.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ALA . . . 76.03 29.32 59.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.127 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.1 mp -136.41 154.37 32.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.602 ' CE1' ' HB ' ' A' ' 17' ' ' VAL . 11.4 m-85 -148.05 151.52 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.81 133.81 49.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.1 -176.72 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -96.87 17.08 17.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -142.86 30.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 65.44 43.65 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.449 ' HG2' ' NE2' ' A' ' 48' ' ' GLN . 3.0 mtt-85 -119.63 115.84 24.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 12.1 p -78.04 146.19 35.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 110.334 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.829 ' HB3' HG12 ' A' ' 46' ' ' VAL . 59.2 m95 -128.94 157.47 41.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 107.996 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.915 ' CG2' HD11 ' A' ' 49' ' ' ILE . 2.1 t -122.47 96.67 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . -82.22 111.18 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.699 HG11 ' NH2' ' A' ' 45' ' ' ARG . 65.1 t -100.24 85.27 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 35' ' ' VAL . 11.9 p -52.8 108.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -116.38 88.98 3.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -48.02 120.54 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -80.29 162.67 24.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.7 m -49.44 -36.15 21.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.42 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.78 39.49 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.187 . . . . 0.0 109.99 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.408 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.1 m-85 -163.86 -172.49 2.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 41' ' ' PHE . 13.0 mt -126.38 128.53 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 11.6 ttp85 -130.3 125.7 35.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.01 88.11 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.699 ' NH2' HG11 ' A' ' 34' ' ' VAL . 6.1 ttm180 -66.81 108.2 2.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.281 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.829 HG12 ' HB3' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -95.54 111.15 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.523 ' CD ' HG11 ' A' ' 98' ' ' VAL . 1.1 tt0 -108.02 128.01 54.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.493 ' OE1' ' CE2' ' A' ' 31' ' ' TRP . 12.1 tp60 -86.67 121.98 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.366 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.915 HD11 ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -155.49 161.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -89.22 105.86 18.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 19.4 m -143.59 142.21 20.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.98 131.01 13.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.453 HD22 ' CG ' ' A' ' 18' ' ' HIS . 2.3 mt -75.86 113.29 13.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.94 -108.24 0.18 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.498 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 0.6 OUTLIER -65.53 -175.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.259 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -160.01 64.45 0.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.06 -141.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.528 ' N ' ' HD3' ' A' ' 59' ' ' PRO . 2.8 mtt180 -136.62 58.14 18.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HD3' ' N ' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -74.92 -42.69 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.783 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.431 ' HB3' ' HA ' ' A' ' 20' ' ' GLU . 9.9 p -65.17 -40.89 94.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.472 ' O ' ' CB ' ' A' ' 65' ' ' SER . 11.1 m170 -70.91 -30.59 66.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 tt -80.85 -38.59 27.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.86 -69.43 0.6 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.51 HG21 HG21 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -72.67 -59.46 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.407 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 5.1 p 65.07 52.96 1.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -133.35 -56.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.579 HD12 ' N ' ' A' ' 67' ' ' LEU . 3.9 mp -66.06 142.53 98.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 18.2 Cg_endo -75.0 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.669 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -85.92 -4.92 59.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.709 ' HG3' ' CD1' ' A' ' 16' ' ' TRP . 3.6 ttp -173.76 139.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.46 ' N ' ' HG2' ' A' ' 70' ' ' MET . 1.8 m0 -108.36 155.55 20.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 108.057 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -137.71 98.07 3.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.777 HD13 ' HE1' ' A' ' 79' ' ' TYR . 11.8 tp -49.36 112.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CZ ' ' SD ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -97.74 -177.45 0.61 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' ' CD2' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.91 169.56 22.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER 82.92 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.6 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 1.1 tt0 164.48 56.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -152.67 165.67 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.777 ' HE1' HD13 ' A' ' 73' ' ' LEU . 2.3 m-30 -114.56 126.64 55.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.559 ' SD ' ' CZ ' ' A' ' 74' ' ' TYR . 1.3 ttt -99.56 121.73 41.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.486 ' HB2' ' CB ' ' A' ' 68' ' ' PRO . 26.2 p-10 -74.66 -168.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -117.11 -1.04 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.633 ' O ' ' CB ' ' A' ' 84' ' ' SER . 4.0 t-20 -81.39 -50.95 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 3.5 t 146.91 41.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.913 ' HB3' HD11 ' A' ' 105' ' ' LEU . 7.5 mtm-85 -148.08 160.17 43.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 79' ' ' TYR . 1.5 tt -124.14 118.63 27.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.372 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.97 ' CD1' HD13 ' A' ' 105' ' ' LEU . 8.2 m95 -91.18 137.9 32.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 108.052 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 104' ' ' LYS . 3.8 tt0 -95.12 125.88 40.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.06 HD12 HD21 ' A' ' 101' ' ' LEU . 5.6 mm -65.05 92.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -45.6 70.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.6 ' C ' ' CD2' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -171.99 141.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.657 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 22.6 t-80 -137.72 114.13 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.4 -170.76 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.503 ' HB2' HG22 ' A' ' 8' ' ' VAL . 4.2 ttm -130.12 130.48 44.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 98' ' ' VAL . 48.5 t -135.28 140.3 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 47.53 39.78 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.32 26.11 71.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.523 HG11 ' CD ' ' A' ' 47' ' ' GLN . 2.2 t -129.94 133.82 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -91.18 114.68 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.617 ' HG2' HD21 ' A' ' 102' ' ' LEU . 31.2 tt0 -105.69 106.56 17.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.06 HD21 HD12 ' A' ' 89' ' ' ILE . 2.0 tt -102.14 122.41 44.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.617 HD21 ' HG2' ' A' ' 100' ' ' GLU . 2.9 mt -98.74 124.46 43.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.736 HD12 HG21 ' A' ' 46' ' ' VAL . 10.0 mt -113.75 130.63 56.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 88' ' ' GLN . 2.0 tppt? -119.72 124.68 46.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.97 HD13 ' CD1' ' A' ' 87' ' ' TRP . 47.2 tp -102.53 136.1 42.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.14 160.18 61.09 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 108' ' ' ASP . 18.4 Cg_endo -74.94 73.72 4.2 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 107' ' ' PRO . 21.9 t0 40.12 90.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.0 OUTLIER -38.89 119.52 0.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 109' ' ' ASP . 1.7 mtt-85 -35.11 129.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.1 131.1 59.64 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 141.46 26.54 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -131.87 136.43 8.77 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.576 ' O ' HG23 ' A' ' 114' ' ' ILE . 1.2 tt -60.96 99.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.335 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -88.62 113.04 23.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.614 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.88 99.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.242 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 stop_ save_