data_1v5q_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 1v5q _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 p -128.24 144.05 51.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.47 177.43 4.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.8 140.83 50.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -125.92 141.61 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.5 122.33 40.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.3 t -95.6 120.51 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.475 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 6.1 p -107.07 104.82 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD1' HD11 ' A' ' 31' ' ' ILE . 31.4 mt -109.4 132.36 54.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.6 m -98.95 110.38 23.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.27 99.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.45 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -57.69 164.2 3.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.0 2.89 6.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 m -141.66 -60.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.548 ' O ' ' C ' ' A' ' 28' ' ' GLY . 10.5 p -103.8 69.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.395 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.7 -89.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.552 ' CD1' HG13 ' A' ' 99' ' ' VAL . 24.5 m-85 -113.58 -28.42 7.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 111.045 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 44.86 65.01 1.94 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.451 HD11 ' CD1' ' A' ' 21' ' ' LEU . 19.2 mt -126.08 142.64 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 50' ' ' SER . 5.1 mm-40 -123.71 140.44 52.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.49 159.28 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HG2' ' CG1' ' A' ' 70' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.069 -0.397 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 1.4 mt -97.87 148.09 23.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.411 ' CD1' ' OD2' ' A' ' 68' ' ' ASP . 21.6 mt -64.43 99.55 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.0 t -60.47 -56.44 21.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.513 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 76.9 t80 -146.36 154.82 42.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.3 mt -126.79 111.05 24.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.99 153.31 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.02 157.81 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 61.22 15.14 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.31 170.43 6.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.4 Cg_endo -75.01 -27.43 10.01 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.434 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . . . -69.3 -26.2 64.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 62' ' ' GLY . 6.1 tp10 -96.45 -41.0 8.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.31 -47.46 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 80.2 m -62.69 -40.86 98.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 108.27 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 70.79 4.94 55.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.143 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.6 m -85.02 -12.46 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.5 mt -98.5 104.47 16.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -86.74 159.15 19.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.34 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.513 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 4.7 mm -74.14 114.32 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.06 35.83 6.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.432 1.083 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.467 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 83.9 m-20 -64.41 -176.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.471 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -126.68 82.61 2.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.422 ' CG1' ' HG2' ' A' ' 47' ' ' PRO . 9.6 p -73.29 117.63 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 56.0 mmm -89.29 -11.88 42.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -175.97 161.57 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.6 mt -129.04 99.57 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.478 ' ND2' ' H ' ' A' ' 100' ' ' THR . 0.9 OUTLIER 68.48 26.23 6.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.17 -22.19 37.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 18.1 mm -61.4 125.88 85.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.2 Cg_endo -75.03 95.9 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -61.04 84.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.442 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -171.71 47.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 t0 172.88 176.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.0 m 70.9 -163.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.1 p -112.35 154.92 24.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -44.34 -30.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.66 -44.31 94.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.33 -60.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.93 -47.19 74.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -55.71 -41.08 73.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -42.72 99.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.346 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.6 mt -45.44 -56.38 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 91' ' ' ARG . 16.2 mt -49.84 -67.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 94' ' ' SER . 15.7 mtt180 -37.59 -59.48 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -50.99 -50.1 59.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.401 ' CB ' ' HB ' ' A' ' 99' ' ' VAL . 6.0 m -44.49 -32.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 91' ' ' ARG . 16.3 m -51.91 -32.55 33.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.034 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.5 mt -51.8 -65.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.2 t -69.65 -6.74 33.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.14 27.69 15.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.974 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -155.08 130.98 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.552 HG13 ' CD1' ' A' ' 29' ' ' PHE . 12.1 p -125.21 140.43 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.478 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 1.2 m -111.56 123.87 51.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.3 mt -118.93 119.65 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -85.7 106.18 16.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 104' ' ' GLU . 4.0 mm -101.25 163.12 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.41 ' N ' HG23 ' A' ' 103' ' ' ILE . 2.2 tt0 -136.27 123.74 22.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.506 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.1 p90 -130.46 175.97 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -129.0 155.34 45.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.457 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -131.43 148.92 52.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.96 154.15 20.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 t -140.09 146.16 38.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.403 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.32 119.51 38.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.4 t -99.61 117.05 44.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t -101.4 117.6 46.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 31' ' ' ILE . 22.1 mt -119.07 131.04 55.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -98.94 110.88 23.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.423 ' HB1' ' CZ ' ' A' ' 29' ' ' PHE . . . -45.05 100.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.444 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -57.08 163.78 2.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 2.5 6.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.9 m -141.4 -60.03 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.555 ' O ' ' C ' ' A' ' 28' ' ' GLY . 8.3 p -104.32 69.63 0.93 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.63 -87.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.575 ' CD1' HG13 ' A' ' 99' ' ' VAL . 13.5 m-85 -116.67 -29.86 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.83 68.95 1.11 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.469 HD12 ' CD1' ' A' ' 21' ' ' LEU . 24.2 mt -134.99 141.66 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.753 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' SER . 3.9 mm-40 -125.06 142.57 51.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -103.23 163.32 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.42 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 110.955 -0.44 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -89.62 147.77 23.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.477 HG22 ' CG1' ' A' ' 52' ' ' ILE . 30.5 mt -61.95 105.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' GLN . 12.5 t -65.79 -54.51 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.502 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 93.4 t80 -142.58 161.53 37.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.477 ' CG1' HG22 ' A' ' 49' ' ' ILE . 27.2 mt -135.41 106.56 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -49.99 153.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.53 163.66 15.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.2 t0 54.14 20.24 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.21 166.29 12.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.047 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -74.97 -19.38 17.97 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.532 1.806 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.5 -27.96 60.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' GLY . 5.9 tp10 -96.84 -41.4 8.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.39 -56.4 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.404 ' CB ' HG22 ' A' ' 63' ' ' VAL . 13.2 m -59.96 -33.02 71.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.273 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 61.56 16.53 50.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.404 HG22 ' CB ' ' A' ' 61' ' ' CYS . 28.4 m -90.48 0.76 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 mt -119.51 112.49 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -93.56 152.49 19.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 19.3 mm -65.62 101.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.04 32.31 3.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 34.0 p-10 -56.33 -168.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.41 53.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.42 ' CG1' ' O ' ' A' ' 47' ' ' PRO . 4.3 p -42.65 117.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.5 mmm -93.69 -16.83 23.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -175.72 157.44 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.511 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 94.9 mt -124.53 90.13 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.1 m-20 82.4 13.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.56 -26.7 9.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.1 mt -60.54 139.53 92.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 112.19 3.5 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 p -79.48 67.81 5.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.336 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 178.13 38.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -166.83 58.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -179.86 -171.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 p -98.94 152.25 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -47.32 -27.9 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLN . 48.0 mt-10 -67.06 -43.98 81.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.78 -67.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.68 -55.85 12.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -53.32 -21.43 5.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -88.24 -35.54 17.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.51 -16.85 17.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.8 mt -81.92 -55.01 4.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 92' ' ' ASP . 2.1 ptt180 -53.13 -20.37 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 91' ' ' ARG . 1.6 t0 -80.64 -65.02 1.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 92' ' ' ASP . 10.3 m -39.44 -38.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.4 t -41.86 -29.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.401 ' N ' ' C ' ' A' ' 93' ' ' SER . 12.9 mt -56.38 -67.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 t -69.41 -6.42 29.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.18 25.46 8.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -151.28 132.17 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.575 HG13 ' CD1' ' A' ' 29' ' ' PHE . 9.9 p -126.97 144.24 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.3 m -110.1 143.22 40.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.2 mt -135.65 114.85 12.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -82.78 117.36 22.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 11.8 mm -115.37 162.9 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -143.64 122.84 12.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 6.3 p90 -121.86 179.74 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.7 p30 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.13 139.55 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 19.3 mt-10 -112.57 157.08 21.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.34 149.63 38.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.4 ' CG2' ' HB ' ' A' ' 103' ' ' ILE . 5.2 t -123.97 153.36 41.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.368 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -112.6 115.71 29.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.5 t -107.27 115.22 48.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.8 p -102.21 118.9 49.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.411 HD12 ' CD1' ' A' ' 64' ' ' LEU . 48.2 mt -115.9 141.32 48.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.6 m -107.67 109.29 20.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.79 99.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.449 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -58.44 164.01 4.28 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.403 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -75.01 2.95 6.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.7 m -140.61 -60.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.562 ' O ' ' C ' ' A' ' 28' ' ' GLY . 34.4 p -104.6 69.38 0.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.446 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.83 -87.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.096 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.574 ' CE1' HG13 ' A' ' 99' ' ' VAL . 20.7 m-85 -114.9 -30.64 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.999 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.61 66.67 2.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.424 HG12 ' CB ' ' A' ' 58' ' ' ALA . 14.6 mt -134.54 142.37 40.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 50' ' ' SER . 5.3 mp0 -126.95 141.53 51.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 86' ' ' ALA . 8.8 mt -111.96 160.91 16.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.405 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 1.2 mt -74.04 130.52 39.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.454 ' CD1' ' OD2' ' A' ' 68' ' ' ASP . 41.3 mt -51.02 112.26 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.8 t -67.83 -52.78 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.508 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 86.5 t80 -141.4 158.43 43.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.0 mt -128.21 111.56 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.46 151.12 2.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.36 163.63 18.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 t0 49.48 23.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 p -102.05 163.91 16.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.476 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.4 Cg_endo -74.93 -16.15 20.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.428 1.752 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.424 ' CB ' HG12 ' A' ' 31' ' ' ILE . . . -77.04 -28.26 54.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -97.23 -27.65 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -54.05 -53.15 57.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.3 m -60.46 -43.89 96.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.288 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.31 -19.9 24.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.9 m -57.55 -38.25 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.411 ' CD1' HD12 ' A' ' 21' ' ' LEU . 32.1 mt -78.05 98.79 5.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 66' ' ' ILE . 20.9 tp60 -92.96 146.92 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.2 mm -51.92 113.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 93.08 35.92 6.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.506 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 39.8 m-20 -59.38 -175.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.481 ' HD3' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -120.88 55.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 70' ' ' VAL . 9.8 p -58.48 90.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 102' ' ' GLU . 69.5 mmm -70.08 -28.42 65.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -152.9 164.32 38.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 92.1 mt -131.89 104.16 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 71.35 7.86 6.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.08 -15.18 21.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.439 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 4.3 mt -72.28 141.09 83.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.453 0.737 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.439 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.0 119.28 5.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.5 p -95.75 62.05 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -172.85 64.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.5 t0 176.66 -44.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -170.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 p -96.8 155.85 16.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -51.48 -30.33 19.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -66.81 -34.97 78.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.21 -68.37 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.449 ' HB3' ' CD1' ' A' ' 33' ' ' LEU . . . -40.66 -48.52 2.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -55.51 -52.26 64.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -46.68 68.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.7 mt -40.22 -49.45 2.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.63 -59.58 4.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -34.66 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.87 -48.11 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.1 -37.27 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.047 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.37 -28.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.8 mt -54.7 -72.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.1 t -67.99 -8.13 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.22 27.19 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.059 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.21 147.97 29.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.574 HG13 ' CE1' ' A' ' 29' ' ' PHE . 8.5 p -148.53 139.36 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.6 m -111.33 105.87 14.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 110.448 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -92.37 114.22 26.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 71' ' ' MET . 6.3 tt0 -90.79 114.95 27.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.432 HG23 ' NH2' ' A' ' 69' ' ' ARG . 3.8 mm -109.82 167.37 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.426 ' CB ' ' HG3' ' A' ' 71' ' ' MET . 3.9 tt0 -141.19 124.42 16.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 1.2 p90 -121.17 -179.6 4.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.78 141.34 50.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -121.26 158.87 27.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.23 147.47 32.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 t -124.75 157.16 36.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -107.73 119.15 38.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.2 t -96.06 118.63 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.7 p -105.02 120.46 55.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.2 mt -128.14 135.84 50.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.0 m -98.62 111.15 23.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.67 98.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.446 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.41 169.77 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.403 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.6 Cg_endo -74.95 -13.87 21.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.7 t -129.82 -61.36 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 28' ' ' GLY . 17.4 p -97.84 69.5 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.575 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -19.59 -90.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.446 ' CD1' HG11 ' A' ' 99' ' ' VAL . 18.6 m-85 -105.74 -24.45 12.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.53 65.61 3.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 58' ' ' ALA . 20.8 mt -138.2 145.71 28.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.5 mm100 -121.54 146.51 46.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mt -115.98 164.45 14.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 1.9 mt -94.39 138.89 31.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.458 ' CD1' ' OD2' ' A' ' 68' ' ' ASP . 32.1 mt -53.87 109.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 32' ' ' GLN . 7.4 t -72.14 -50.39 28.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.526 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 62.3 t80 -149.49 149.77 31.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.6 mt -113.64 107.59 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' HA ' ' CE2' ' A' ' 51' ' ' TYR . 1.8 mp0 -51.05 158.73 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.22 163.36 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.1 t0 53.6 20.68 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 p -101.09 161.24 24.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -18.59 18.47 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.468 ' CB ' HG12 ' A' ' 31' ' ' ILE . . . -74.25 -23.98 59.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -94.85 -31.68 13.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.94 -47.82 79.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -42.55 90.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.276 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.41 30.33 77.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -108.09 -6.18 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mt -106.77 134.87 49.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -114.79 148.83 37.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 13.0 mm -59.45 110.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 95.99 25.21 13.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.483 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 44.2 p-10 -52.34 -179.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.27 77.89 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.8 p -70.82 112.69 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.05 -26.68 53.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.61 155.9 29.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.2 mt -129.21 103.84 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.39 10.93 4.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.95 -17.9 29.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 5.8 mm -65.07 135.72 96.43 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.3 Cg_endo -75.01 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.444 1.76 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.3 p -87.83 93.67 9.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 176.83 39.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.89 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -177.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.6 p -98.11 149.83 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.447 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -46.92 -32.35 3.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -63.31 -39.17 93.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -66.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.42 -46.27 2.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.43 -58.83 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.37 -46.91 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.12 -59.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.6 mt -46.63 -65.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -40.04 -52.23 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -57.6 -53.62 56.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 m -48.08 -30.98 4.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 p -55.29 -20.08 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.011 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.8 mt -63.12 -67.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.0 t -65.42 -11.33 41.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.16 23.43 5.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.97 132.15 15.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.446 HG11 ' CD1' ' A' ' 29' ' ' PHE . 11.4 p -122.08 144.84 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 m -120.14 103.54 9.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.1 mt -98.8 121.12 40.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -88.27 103.83 16.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 104' ' ' GLU . 21.9 mm -100.43 167.18 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.413 ' N ' ' CG2' ' A' ' 103' ' ' ILE . 4.3 tt0 -134.57 135.75 42.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 1.3 p90 -134.68 178.68 6.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.68 142.76 51.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.395 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -125.83 153.11 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.6 OUTLIER -103.88 158.58 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.425 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 t -137.06 165.86 25.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -115.13 116.13 27.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.413 HG13 ' CD2' ' A' ' 64' ' ' LEU . 6.3 t -99.53 109.88 25.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 p -99.25 118.43 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.6 mt -118.6 132.12 56.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.1 m -95.25 105.6 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.372 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -41.23 98.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.466 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -51.43 170.22 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.405 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -74.99 -13.58 21.38 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.779 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.7 t -130.53 -60.96 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.544 ' O ' ' C ' ' A' ' 28' ' ' GLY . 23.1 p -96.95 68.88 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -24.29 -86.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.45 1.093 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.472 ' CD1' HG12 ' A' ' 99' ' ' VAL . 14.7 m-85 -115.8 -27.77 6.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.88 68.25 1.57 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.1 mt -134.97 143.46 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.64 136.38 53.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.489 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.1 mm? -97.64 159.92 14.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.417 ' CD ' HG21 ' A' ' 78' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.853 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 11.8 mt -77.43 129.81 36.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.414 ' CD1' ' OD2' ' A' ' 68' ' ' ASP . 7.8 mt -49.73 117.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -46.03 23.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.508 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 84.3 t80 -151.2 156.99 42.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.89 107.84 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.92 153.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -88.08 169.53 11.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 45.78 26.19 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 54' ' ' ALA . 3.3 p -108.91 163.12 17.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.022 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.437 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -74.98 -23.61 13.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 29' ' ' PHE . . . -69.74 -24.65 63.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.16 -22.81 17.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -66.01 -43.79 86.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -43.19 88.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 108.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 84.13 -48.67 4.09 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.1 m -42.39 -29.67 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' CD2' HG13 ' A' ' 19' ' ' VAL . 20.4 mt -76.93 98.82 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -96.15 149.09 22.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.0 mm -58.93 116.83 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.9 24.29 25.58 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.455 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 41.4 p-10 -49.58 174.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.405 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -123.96 70.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.1 p -66.69 121.24 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.428 ' SD ' ' CB ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -87.39 -20.87 26.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.59 144.75 12.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.431 HG21 ' CB ' ' A' ' 89' ' ' LEU . 46.7 mt -113.61 104.15 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 100' ' ' THR . 1.2 m-80 68.7 23.66 7.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.66 -28.02 17.24 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.519 ' CD1' ' N ' ' A' ' 76' ' ' ILE . 1.2 mp -63.15 124.62 84.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.569 0.805 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.57 2.87 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 78' ' ' THR . 14.4 t -53.48 99.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 178.12 49.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -179.75 -48.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.63 177.47 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.056 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 p -88.14 161.94 17.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.582 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -58.12 -28.88 65.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.54 -38.67 87.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -48.88 -62.87 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.45 -57.72 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -47.34 -44.9 24.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.48 ' N ' HE21 ' A' ' 88' ' ' GLN . 0.0 OUTLIER -63.93 -43.76 94.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.431 ' CB ' HG21 ' A' ' 73' ' ' ILE . 7.5 mt -49.14 -29.54 5.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.442 ' CD2' HG22 ' A' ' 99' ' ' VAL . 21.4 mt -86.53 -59.03 2.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.9 mtp85 -39.84 -57.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.5 -44.51 93.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.0 -24.77 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 t -62.26 -13.62 30.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.5 mt -66.68 -60.82 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.2 t -75.35 -5.99 47.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.97 23.01 12.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.08 141.51 25.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 29' ' ' PHE . 12.1 p -140.48 141.59 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 74' ' ' ASN . 93.3 m -114.9 127.27 55.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.8 mt -116.52 120.42 38.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 71' ' ' MET . 29.6 tt0 -84.2 104.63 14.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 104' ' ' GLU . 39.4 mm -105.54 167.3 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.428 ' CB ' ' SD ' ' A' ' 71' ' ' MET . 3.3 tt0 -146.02 128.15 15.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 8.2 p90 -127.95 176.65 7.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.153 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -130.85 143.03 50.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.374 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.471 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 24.6 mt-10 -120.25 153.74 35.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.57 150.67 27.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 t -128.64 152.22 48.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.406 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -104.25 125.24 50.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -115.12 120.97 66.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.4 p -106.57 115.24 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 64' ' ' LEU . 31.2 mt -114.02 138.99 49.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.2 m -104.06 108.87 20.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.68 97.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.464 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.84 169.56 0.21 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -74.99 -13.33 21.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.9 t -129.54 -60.41 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.561 ' O ' ' C ' ' A' ' 28' ' ' GLY . 24.4 p -99.02 69.63 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.59 -90.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 23' ' ' ALA . 26.3 m-85 -114.72 -22.44 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.08 70.42 0.7 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.43 HG12 ' CB ' ' A' ' 58' ' ' ALA . 14.9 mt -134.64 143.36 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -122.63 135.64 54.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 mt -113.52 156.85 22.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 71.9 mt -81.73 131.99 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.1 mt -59.1 96.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -57.72 -53.21 60.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.512 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 89.6 t80 -151.12 157.73 43.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.6 mt -123.12 111.05 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.27 151.75 2.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.97 159.34 17.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.21 19.05 4.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.35 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.25 163.37 18.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.446 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -75.02 -19.51 17.72 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.803 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 29' ' ' PHE . . . -75.24 -25.84 58.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 109.239 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -93.99 -23.27 18.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -65.98 -42.8 89.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -43.55 91.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 108.256 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.401 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 84.77 -45.53 3.53 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.401 HG21 ' N ' ' A' ' 64' ' ' LEU . 15.1 m -44.22 -27.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.76 . . . . 0.0 109.297 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.457 ' CD1' HD12 ' A' ' 21' ' ' LEU . 18.9 mt -80.92 105.81 12.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -98.33 161.54 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.512 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.6 mm -72.55 119.59 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.84 39.68 13.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.431 1.082 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.455 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 4.8 t0 -77.89 -178.77 5.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 0.769 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.472 ' CZ ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -116.77 89.5 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.6 p -87.31 112.95 23.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.2 mtp -83.56 -9.97 58.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.479 ' HA ' ' CG2' ' A' ' 78' ' ' THR . . . -163.66 150.84 12.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 73' ' ' ILE . 24.3 mt -113.41 2.08 8.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 p30 170.18 43.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.04 -41.29 2.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 2.5 mt -64.5 140.36 97.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 0.731 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.0 107.84 2.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.479 ' CG2' ' HA ' ' A' ' 72' ' ' ALA . 48.6 p -74.4 75.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -178.64 52.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -156.58 -55.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -173.37 2.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.8 p -80.47 162.08 24.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -58.74 -31.98 68.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -63.22 -35.0 78.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.71 -53.87 41.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 110.353 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 73' ' ' ILE . . . -49.38 -56.37 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -51.93 -34.42 41.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.34 -38.6 74.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.1 mt -52.27 -44.69 65.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.29 -43.16 82.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -30.22 71.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.17 -47.06 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 95' ' ' ILE . 75.4 m -42.08 -41.08 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.047 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.3 t -42.25 -29.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.409 ' N ' ' C ' ' A' ' 93' ' ' SER . 17.5 mt -52.13 -68.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.9 t -71.98 -5.75 37.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.02 25.53 15.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -149.09 153.3 37.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 101' ' ' LEU . 7.5 p -145.31 152.19 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.9 m -120.56 97.32 5.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.421 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.46 ' CD1' HG23 ' A' ' 99' ' ' VAL . 2.8 mp -93.1 112.04 23.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.25 106.55 18.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 10.6 mm -98.97 163.65 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.472 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.7 tt0 -132.89 133.75 43.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.492 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.8 p90 -134.15 176.03 8.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.28 139.42 49.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -119.72 150.82 39.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.73 148.15 25.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.454 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 t -127.18 152.45 47.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -116.84 115.73 26.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.507 ' CG1' HD23 ' A' ' 101' ' ' LEU . 3.8 p -95.7 137.91 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 p -114.37 114.42 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -117.3 133.51 55.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.1 m -98.33 107.02 19.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 110.369 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.8 98.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.45 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.8 170.81 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.01 -14.98 20.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.2 t -129.29 -61.27 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.584 ' O ' ' C ' ' A' ' 28' ' ' GLY . 22.3 p -96.76 68.73 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.445 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -20.22 -89.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.539 ' CE1' HG13 ' A' ' 99' ' ' VAL . 18.5 m-85 -108.58 -26.29 10.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.4 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 52.34 67.1 2.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.0 mt -136.55 149.18 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.6 mm100 -126.94 142.45 51.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.1 159.72 23.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.943 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 9.5 mt -91.92 147.26 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.06 95.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' GLN . 5.9 t -57.03 -57.56 12.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.509 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 58.7 t80 -144.45 157.54 44.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 33.9 mt -124.49 110.31 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.459 ' HA ' ' CE2' ' A' ' 51' ' ' TYR . 1.9 mp0 -50.24 156.09 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -90.52 167.25 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 48.23 24.7 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -104.01 165.1 14.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -20.58 16.91 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.89 -26.09 60.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -93.98 -24.56 17.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -53.91 51.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.2 m -60.49 -43.29 97.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 108.28 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.58 -5.94 59.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.1 m -69.81 -28.83 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.805 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 24.5 mt -81.56 106.23 13.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -96.62 150.29 20.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.509 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.6 mm -60.4 122.34 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.58 52.44 5.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.052 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.469 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 65.9 m-20 -85.23 -176.72 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.8 90.52 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.438 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 7.6 p -82.23 107.53 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 102' ' ' GLU . 1.4 mtp -74.34 -30.22 61.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -155.83 163.56 39.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.9 mt -137.71 101.29 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 100' ' ' THR . 0.5 OUTLIER 73.47 12.55 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.37 -19.08 24.83 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 12.3 mm -65.47 130.33 94.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.551 0.794 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.2 Cg_endo -75.0 106.0 2.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.764 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 p -92.84 90.16 6.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -175.78 39.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -179.71 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.92 -176.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.974 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.2 p -103.88 150.22 24.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -45.75 -35.15 4.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.57 -36.81 76.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.5 OUTLIER -55.01 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.27 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' GLU . . . -40.33 -49.67 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -55.06 -47.35 74.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -57.59 -44.02 85.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.338 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.6 mt -47.55 -58.56 4.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.453 ' CD2' HG21 ' A' ' 99' ' ' VAL . 17.1 mt -49.54 -56.87 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -25.22 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -88.36 -47.41 8.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.6 m -51.19 -25.44 5.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.5 t -58.39 -34.0 70.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.6 mt -48.83 -71.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.4 t -64.66 -11.67 37.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.81 25.48 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.63 135.73 17.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.539 HG13 ' CE1' ' A' ' 29' ' ' PHE . 8.9 p -124.06 143.74 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 74' ' ' ASN . 1.0 OUTLIER -118.82 107.34 13.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.507 HD23 ' CG1' ' A' ' 19' ' ' VAL . 1.3 mm? -103.07 121.43 42.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 71' ' ' MET . 31.8 tt0 -92.34 106.93 18.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 15.3 mm -102.01 167.2 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -144.32 126.62 15.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.261 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 5.4 p90 -127.58 179.22 5.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.09 143.31 51.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 32.5 mt-10 -115.86 152.2 33.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.41 140.27 50.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.445 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.0 t -117.56 150.81 38.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.36 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -109.14 116.46 31.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.4 ' CG1' HD12 ' A' ' 21' ' ' LEU . 5.6 t -104.35 115.64 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.1 t -104.22 99.74 9.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.442 HD11 ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -95.24 101.69 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' ASP . 2.0 m -66.7 100.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 22' ' ' THR . . . -35.03 97.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.484 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -59.85 166.36 3.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -74.98 0.67 8.61 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.7 t -142.35 -57.56 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 28' ' ' GLY . 21.1 p -104.65 70.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.413 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -25.75 -84.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.666 ' CD1' ' CG1' ' A' ' 99' ' ' VAL . 16.4 m-85 -115.64 -23.5 8.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.422 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 51.23 60.21 7.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.465 HG12 ' CB ' ' A' ' 58' ' ' ALA . 13.9 mt -129.75 145.96 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' SER . 2.1 mm100 -127.3 138.43 53.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mt -114.29 158.21 21.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.312 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.471 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 mt -93.24 148.12 22.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.8 mt -69.61 98.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLN . 27.0 t -58.09 -55.63 32.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.515 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 87.0 t80 -143.58 154.79 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.1 mt -119.84 107.71 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.422 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -50.37 151.95 2.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 110.263 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.03 164.43 14.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 t70 53.59 20.92 2.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 p -104.4 166.08 12.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.489 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.03 -23.17 14.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.465 ' CB ' HG12 ' A' ' 31' ' ' ILE . . . -70.98 -25.04 62.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -96.76 -35.28 11.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -51.33 -44.19 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.6 m -61.07 -41.7 97.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.23 22.78 72.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 m -103.75 -18.28 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.9 mt -92.53 124.66 36.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -107.22 149.02 28.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.515 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.1 mm -60.57 117.6 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.39 32.23 7.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -63.66 -177.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -128.32 80.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 47' ' ' PRO . 8.9 p -67.69 115.37 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 39.0 mmm -89.4 -19.43 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -164.99 164.18 20.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.401 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 23.5 mt -137.05 106.1 4.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 74.45 5.57 4.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.23 -19.94 11.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.467 ' CD1' ' N ' ' A' ' 76' ' ' ILE . 1.8 mp -68.75 132.67 90.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 111.04 3.23 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 p -88.58 83.84 6.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 110.416 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -159.74 26.44 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 172.7 94.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 172.83 -173.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 110.008 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 p -100.49 148.8 24.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 2.1 t80 -52.49 -20.33 2.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.47 -34.36 60.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -49.66 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -47.74 -54.57 11.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -50.23 -31.51 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.38 -36.09 60.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 93' ' ' SER . 10.3 mt -55.08 -50.1 70.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.1 mt -55.48 -56.91 14.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.17 -29.92 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -84.34 -38.14 20.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' LEU . 70.8 m -56.44 -27.83 57.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.0 t -54.76 -19.38 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.961 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.2 mt -59.62 -71.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 97' ' ' SER . 9.4 t -62.03 -13.73 28.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.45 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 96' ' ' THR . 0.1 OUTLIER 78.53 25.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.028 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.8 ptmt -163.77 155.16 16.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.666 ' CG1' ' CD1' ' A' ' 29' ' ' PHE . 7.9 p -131.35 138.55 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 m -106.96 101.74 11.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -89.97 117.03 28.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -87.32 106.8 18.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.7 mm -106.68 163.27 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -145.19 122.93 11.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 3.6 p90 -121.02 175.87 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.2 p30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -131.79 143.32 50.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.406 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 15.8 mt-10 -116.44 155.05 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.87 145.83 40.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 t -120.32 156.03 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -115.66 113.11 23.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.6 t -100.45 114.45 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.466 HG13 ' CG ' ' A' ' 98' ' ' LYS . 25.1 t -104.75 101.62 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 64' ' ' LEU . 25.2 mt -100.99 142.52 32.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 m -104.92 109.81 21.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.78 100.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.434 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -57.56 163.84 3.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 3.45 5.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.9 m -143.13 -60.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.551 ' O ' ' C ' ' A' ' 28' ' ' GLY . 5.2 p -103.83 69.5 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.66 -88.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CD1' HG12 ' A' ' 99' ' ' VAL . 17.7 m-85 -115.13 -27.6 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.94 56.12 10.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.2 mt -122.97 146.06 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' SER . 2.1 mt-30 -128.29 139.93 52.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.2 mt -110.27 158.33 18.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 3.5 mt -132.33 127.31 35.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 24.8 mt -41.97 104.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLN . 11.8 t -65.05 -54.62 27.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.511 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 79.2 t80 -142.27 160.43 40.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.4 mt -131.29 112.32 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.29 154.43 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.03 162.89 15.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 49.67 30.83 3.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.74 168.3 7.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -18.85 18.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.82 -27.92 44.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -96.65 -11.31 25.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -77.31 -40.36 44.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.9 p -59.66 -41.6 90.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 108.301 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.92 -2.61 63.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -87.29 -30.17 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.467 ' CD1' HD11 ' A' ' 21' ' ' LEU . 66.0 mt -80.1 97.76 6.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -93.81 149.18 21.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.511 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.7 mm -57.53 113.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.67 29.62 7.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.501 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 8.8 m-20 -54.06 -173.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.589 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -126.67 60.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.448 ' CG1' ' O ' ' A' ' 70' ' ' VAL . 8.4 p -60.11 89.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' GLU . 50.0 mmm -68.37 -30.39 69.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.448 ' HA ' ' CG2' ' A' ' 78' ' ' THR . . . -153.36 160.79 42.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.409 ' CG1' HG21 ' A' ' 70' ' ' VAL . 84.5 mt -131.66 103.3 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.72 4.56 4.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.62 -14.22 20.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.437 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 3.4 mt -71.03 140.53 85.89 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.552 0.796 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.437 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 18.3 Cg_endo -75.01 103.23 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.448 ' CG2' ' HA ' ' A' ' 72' ' ' ALA . 68.4 p -71.95 71.49 0.8 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.422 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 178.79 47.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 t0 177.34 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.517 ' C ' ' CG2' ' A' ' 82' ' ' THR . 51.1 m -72.2 -8.15 53.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.517 ' CG2' ' C ' ' A' ' 81' ' ' SER . 0.8 OUTLIER 67.03 143.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.416 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.453 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -44.4 -32.84 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.49 -39.97 61.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.483 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 0.2 OUTLIER -76.79 -54.89 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.75 -48.62 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.34 -51.85 67.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -44.73 80.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.3 mt -40.54 -36.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.412 ' C ' ' N ' ' A' ' 92' ' ' ASP . 16.3 mt -71.06 -61.26 1.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -42.58 -27.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 90' ' ' LEU . 14.3 t70 -84.6 -47.58 10.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -44.4 -29.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.33 -41.75 39.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.093 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.3 mt -44.53 -73.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.2 t -64.43 -11.07 29.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 m 65.05 25.87 12.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.466 ' CG ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -148.24 146.79 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.563 HG12 ' CD1' ' A' ' 29' ' ' PHE . 14.9 p -140.31 136.02 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.9 m -108.49 104.15 13.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.9 mt -95.22 111.18 23.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' MET . 3.3 tt0 -86.53 112.96 22.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.3 mm -110.99 167.67 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -142.31 123.66 14.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.503 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.6 p90 -121.57 179.86 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.69 139.6 49.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 14.5 mt-10 -110.38 156.55 20.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.85 145.35 43.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.41 ' CG2' ' HB ' ' A' ' 103' ' ' ILE . 5.0 t -119.01 153.8 34.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -115.34 113.26 23.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 t -101.56 127.0 55.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.7 t -113.89 108.68 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.485 ' CD1' HD12 ' A' ' 31' ' ' ILE . 16.3 mt -108.32 142.93 37.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' ASP . 7.5 m -105.01 108.83 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.03 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.466 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.81 170.1 0.2 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -75.0 -13.31 21.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 t -130.72 -61.49 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.555 ' O ' ' C ' ' A' ' 28' ' ' GLY . 19.9 p -97.05 69.5 2.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.18 -85.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.493 1.121 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.462 ' CE1' HG11 ' A' ' 99' ' ' VAL . 14.1 m-85 -116.09 -27.43 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.11 62.71 4.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.485 HD12 ' CD1' ' A' ' 21' ' ' LEU . 5.5 mt -131.63 145.35 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' SER . 2.7 mm100 -125.44 145.16 50.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mt -117.48 163.23 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 111.052 -0.403 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 12.2 mt -136.37 135.45 38.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.408 ' CD1' ' OD2' ' A' ' 68' ' ' ASP . 22.8 mt -54.7 98.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 32' ' ' GLN . 18.2 t -58.31 -57.68 11.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.508 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 85.1 t80 -137.66 159.92 40.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -128.62 109.25 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.07 149.33 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.79 159.55 19.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 t0 56.7 18.83 3.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.15 166.31 13.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.486 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.03 -22.73 14.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.771 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.471 ' HB2' ' CD1' ' A' ' 31' ' ' ILE . . . -73.32 -27.86 61.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -96.33 -12.03 25.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -60.94 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 37.2 m -60.18 -43.47 95.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.258 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.47 -22.23 17.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.4 m -48.76 -29.21 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.473 ' CD1' HD11 ' A' ' 21' ' ' LEU . 39.4 mt -86.81 99.95 12.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.461 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 4.8 mt-30 -94.26 145.57 24.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.4 mm -50.75 114.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.95 30.03 8.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.47 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 74.2 m-20 -53.02 -177.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.426 ' HD3' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -118.22 54.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.439 ' HA ' ' CD1' ' A' ' 103' ' ' ILE . 2.7 p -55.41 91.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 102' ' ' GLU . 49.4 mmm -73.73 -33.35 64.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.468 ' HA ' ' CG2' ' A' ' 78' ' ' THR . . . -147.59 178.07 8.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 97.2 mt -142.06 97.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 72.07 9.3 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.84 -12.58 20.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 7.9 mm -72.05 132.42 84.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.2 Cg_endo -74.98 100.05 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 72' ' ' ALA . 60.8 p -65.97 73.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.9 OUTLIER -171.36 -44.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.68 -47.06 87.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.3 m -79.28 -156.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.9 p -119.24 160.7 21.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -47.96 -27.48 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -69.53 -50.23 46.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.65 -60.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.41 -50.49 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -56.92 -49.77 74.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -43.05 81.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.3 mt -45.85 -52.25 11.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 93' ' ' SER . 14.7 mt -59.02 -59.13 5.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.99 -40.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -77.13 -43.59 33.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' LEU . 6.7 m -44.8 -36.81 3.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t -48.16 -27.01 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.6 mt -53.12 -73.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.6 t -65.18 -12.41 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.77 24.48 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -148.74 144.87 27.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.462 HG11 ' CE1' ' A' ' 29' ' ' PHE . 7.9 p -141.7 143.06 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.7 m -114.56 98.14 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.446 HD23 ' CG2' ' A' ' 99' ' ' VAL . 3.8 mm? -86.81 119.29 26.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' MET . 11.6 tt0 -95.41 119.0 33.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 70' ' ' VAL . 5.6 mm -115.12 167.35 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.423 ' CB ' ' HG3' ' A' ' 71' ' ' MET . 3.7 tt0 -141.7 124.52 16.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 1.2 p90 -121.14 -179.55 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 p30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.3 p-80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -129.43 146.92 51.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.486 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 4.8 mt-10 -120.43 148.89 43.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.5 OUTLIER -106.96 148.84 28.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 t -136.42 141.0 43.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 100' ' ' THR . 3.9 tt0 -105.77 124.06 48.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' A' ' 101' ' ' LEU . 9.2 p -99.72 134.63 38.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.468 ' CG1' ' HE2' ' A' ' 98' ' ' LYS . 53.6 t -115.34 99.24 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 mt -101.99 139.55 37.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.7 m -102.17 109.05 20.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.373 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.07 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.45 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -50.48 167.77 0.25 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.0 -10.78 21.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.8 t -131.37 -60.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.564 ' O ' ' C ' ' A' ' 28' ' ' GLY . 9.2 p -100.68 70.27 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -21.43 -85.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.543 ' CD1' HG13 ' A' ' 99' ' ' VAL . 14.9 m-85 -113.61 -38.63 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.448 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 66.57 59.99 6.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 mt -129.43 141.58 46.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -121.19 132.19 54.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.2 mm? -99.68 157.93 16.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.457 ' HG2' ' CB ' ' A' ' 48' ' ' LEU . 2.3 pp0? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 48' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CB ' ' HG2' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -39.22 136.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.481 ' CD1' ' OD2' ' A' ' 68' ' ' ASP . 10.6 mt -69.27 83.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' GLN . 30.7 t -39.78 -61.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.521 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 90.0 t80 -144.4 158.11 43.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.469 HG13 ' CG2' ' A' ' 49' ' ' ILE . 17.6 mt -121.11 109.66 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.448 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -50.04 153.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.262 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -89.51 169.3 11.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 47.3 25.02 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -107.27 164.09 15.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -21.22 15.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.528 1.804 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.8 -25.21 62.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 62' ' ' GLY . 2.1 tp10 -96.42 -39.69 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -42.22 -53.05 4.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.1 m -66.75 -34.7 78.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 59.82 22.26 56.95 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.6 m -87.65 -10.31 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.481 0.754 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mt -107.88 124.09 49.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -102.29 155.04 18.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.521 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 21.2 mm -66.43 105.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 68' ' ' ASP . . . 110.07 22.13 6.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.481 ' OD2' ' CD1' ' A' ' 49' ' ' ILE . 34.5 p-10 -51.43 -177.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.439 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -138.8 66.49 1.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 72' ' ' ALA . 8.4 p -64.45 115.68 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 102' ' ' GLU . 69.9 mmm -75.79 -24.7 55.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.433 ' O ' ' CG2' ' A' ' 70' ' ' VAL . . . -160.05 158.67 30.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 54.2 mt -126.72 111.84 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 100' ' ' THR . 1.0 OUTLIER 61.73 18.23 9.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 106.68 -16.35 40.47 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.138 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 21.1 mm -66.11 128.97 94.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.4 Cg_endo -74.93 76.04 3.49 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.769 . . . . 0.0 111.072 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.6 p -59.3 85.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.398 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' PRO . 7.7 pt-20 -179.71 53.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 171.21 -40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.9 m -59.17 -164.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.977 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 p -113.88 156.77 23.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -48.56 -24.1 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -74.0 -38.15 64.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -49.13 -67.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.95 -58.79 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -50.24 -39.21 44.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -67.52 -39.46 85.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.4 mt -52.8 -51.55 60.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 99' ' ' VAL . 15.3 mt -54.54 -64.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.66 -54.36 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.62 -56.42 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.2 m -42.45 -40.87 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 p -43.81 -29.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.9 mt -50.81 -66.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.0 t -72.67 -3.77 27.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m 64.83 24.4 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.468 ' HE2' ' CG1' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -146.68 136.24 23.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.543 HG13 ' CD1' ' A' ' 29' ' ' PHE . 8.0 p -126.97 149.83 32.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.454 ' CG2' ' HG3' ' A' ' 18' ' ' GLU . 1.1 m -124.71 130.21 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.503 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 6.3 mt -125.87 120.1 29.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.3 tt0 -89.11 105.19 17.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 16' ' ' THR . 4.5 mm -99.79 167.21 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -143.91 123.52 13.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.486 ' CD1' ' O ' ' A' ' 15' ' ' GLU . 5.2 p90 -125.64 173.86 8.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -129.37 142.26 50.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' CE1' ' A' ' 105' ' ' PHE . 20.2 mt-10 -118.26 151.81 36.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.28 154.68 19.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 t -137.41 140.93 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.459 ' HG2' ' CG2' ' A' ' 100' ' ' THR . 0.7 OUTLIER -107.88 116.1 31.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.504 ' CG1' HD23 ' A' ' 101' ' ' LEU . 5.2 p -95.19 126.5 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.5 t -112.54 99.62 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.6 mt -104.56 139.79 38.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' ALA . 8.2 m -101.46 106.16 17.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.471 ' HA ' ' C ' ' A' ' 28' ' ' GLY . . . -36.98 113.57 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.424 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -59.16 158.49 18.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.14 8.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.4 t -118.77 -63.14 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.9 p -95.23 -85.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.512 ' O ' ' CG ' ' A' ' 57' ' ' PRO . . . 156.26 -101.4 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.522 ' CD1' ' CG1' ' A' ' 99' ' ' VAL . 32.4 m-85 -106.34 -18.97 13.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.71 71.34 0.6 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 mt -145.89 135.45 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' SER . 41.4 mm-40 -117.97 130.44 56.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.3 mt -102.98 156.33 17.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HG2' ' CG1' ' A' ' 70' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.038 -0.408 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.453 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 6.1 mt -90.33 154.69 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.5 mt -73.01 105.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' GLN . 29.5 t -66.82 -53.68 30.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.518 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 92.3 t80 -149.23 157.73 43.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.1 mt -120.35 110.44 28.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.97 152.59 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.88 163.84 14.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t0 54.99 19.6 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 p -102.18 164.09 16.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.95 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.512 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -75.01 -14.8 21.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 29' ' ' PHE . . . -75.57 -29.79 59.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -92.56 -19.13 22.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -73.83 -50.42 20.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.427 ' SG ' ' CG2' ' A' ' 63' ' ' VAL . 31.9 p -60.76 -37.24 81.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 108.271 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.99 38.8 96.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.427 ' CG2' ' SG ' ' A' ' 61' ' ' CYS . 34.8 m -108.93 -22.31 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.64 137.36 34.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -114.35 152.24 31.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 5.3 mm -66.6 113.83 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.55 28.22 20.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.453 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 3.1 t0 -59.7 -160.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -142.36 94.51 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG1' ' HG2' ' A' ' 47' ' ' PRO . 9.9 p -83.67 118.46 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.419 ' N ' ' O ' ' A' ' 102' ' ' GLU . 55.0 mmm -86.81 -18.7 30.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -166.47 168.75 14.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.463 HG13 ' CG2' ' A' ' 78' ' ' THR . 54.2 mt -139.07 99.48 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 100' ' ' THR . 0.5 OUTLIER 72.64 15.13 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.88 -13.08 45.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.438 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 5.2 mt -71.9 141.73 84.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.438 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.04 117.34 4.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.463 ' CG2' HG13 ' A' ' 73' ' ' ILE . 5.4 p -81.67 70.84 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.445 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -176.17 -41.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -62.9 -51.62 66.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.4 m -77.93 -162.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.7 p -125.65 170.47 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -53.88 -27.69 31.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -68.08 -34.67 76.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -58.33 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.93 -53.64 4.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -52.45 -46.73 66.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.24 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -40.06 86.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.9 mt -50.49 -41.34 53.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 mt -63.46 -52.65 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -36.42 76.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -78.26 -21.22 50.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.3 m -85.89 -12.92 49.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 m -76.66 -21.18 55.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.8 mt -55.49 -63.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 t -69.96 -6.74 35.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.53 28.79 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.52 147.26 29.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.522 ' CG1' ' CD1' ' A' ' 29' ' ' PHE . 14.7 p -140.93 140.15 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 18' ' ' GLU . 24.4 m -121.36 112.51 18.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.399 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.504 HD23 ' CG1' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -111.4 130.13 55.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -98.0 107.99 20.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.6 mm -104.46 160.78 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -131.61 134.99 46.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.541 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.5 p90 -132.06 -179.88 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.61 139.11 53.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.0 165.48 13.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.97 147.14 39.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.433 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.406 ' HB ' ' CE1' ' A' ' 105' ' ' PHE . 7.9 t -128.07 150.06 50.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.36 122.26 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.486 ' CG1' HD13 ' A' ' 101' ' ' LEU . 8.4 p -97.49 149.02 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.488 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 7.0 p -126.07 100.49 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.7 mt -103.68 133.11 49.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.2 m -100.02 109.82 22.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.11 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.458 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -54.16 170.96 0.29 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.03 -14.29 21.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.7 t -129.72 -59.59 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.567 ' O ' ' C ' ' A' ' 28' ' ' GLY . 22.8 p -98.02 68.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.04 -87.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.554 ' CD1' HG11 ' A' ' 99' ' ' VAL . 28.4 m-85 -114.84 -26.98 7.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.759 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.69 59.8 7.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.434 HG12 ' CB ' ' A' ' 58' ' ' ALA . 13.6 mt -129.41 145.95 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 0.794 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' SER . 0.4 OUTLIER -131.38 140.17 49.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -103.45 162.45 13.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.414 ' NE2' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -81.76 138.72 35.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.6 mt -50.15 93.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLN . 16.4 t -51.65 -51.9 52.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.518 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 77.0 t80 -152.68 167.69 28.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.4 mt -134.46 106.84 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.16 152.47 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.24 165.33 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t0 51.93 22.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.01 164.93 13.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -21.22 15.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.434 ' CB ' HG12 ' A' ' 31' ' ' ILE . . . -69.5 -31.84 70.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -91.5 -22.85 20.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -56.71 -51.26 69.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.8 p -60.11 -43.16 95.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 108.316 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' VAL . . . 86.04 -42.94 3.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' GLY . 17.7 m -40.26 -37.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.1 mt -71.47 109.82 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -101.71 159.12 15.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 10.4 mm -69.14 124.17 24.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.8 45.36 21.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.493 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -76.49 -169.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.75 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -122.89 89.07 3.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.0 p -82.02 111.97 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -79.38 -29.22 42.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.18 167.01 24.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.43 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 13.4 mt -134.06 99.91 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 100' ' ' THR . 0.5 OUTLIER 73.38 23.0 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.43 -13.05 64.72 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.471 ' CG2' HD13 ' A' ' 89' ' ' LEU . 9.7 mm -73.67 134.78 78.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.3 Cg_endo -75.01 114.73 4.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.438 1.757 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 p -96.89 84.14 3.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.09 64.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 t0 173.52 -62.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -174.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.069 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.511 ' O ' ' CG ' ' A' ' 85' ' ' GLU . 4.1 p -80.46 144.01 32.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -49.81 -23.93 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -19.15 61.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 82' ' ' THR . 2.1 pp20? -61.86 -37.13 83.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.74 -51.77 17.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -50.99 -22.23 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -41.3 18.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.471 HD13 ' CG2' ' A' ' 76' ' ' ILE . 10.7 mt -52.69 -20.8 3.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.9 mt -83.04 -60.14 2.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -56.16 -18.42 10.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 91' ' ' ARG . 21.7 t0 -86.79 -37.04 18.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 95' ' ' ILE . 0.4 OUTLIER -62.07 -41.02 97.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -39.41 -31.02 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.983 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.426 ' N ' ' C ' ' A' ' 93' ' ' SER . 7.9 mt -52.53 -70.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.4 t -69.13 -9.0 50.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.352 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.75 16.49 4.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.11 150.48 44.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.554 HG11 ' CD1' ' A' ' 29' ' ' PHE . 8.0 p -141.24 138.82 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 74' ' ' ASN . 1.1 m -112.98 129.33 56.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.431 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.486 HD13 ' CG1' ' A' ' 19' ' ' VAL . 1.5 mt -127.65 129.55 47.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.93 109.08 21.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.8 mm -104.42 162.47 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.431 ' O ' ' NH1' ' A' ' 69' ' ' ARG . 2.3 tt0 -124.75 136.23 53.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.52 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.1 p90 -139.34 178.18 7.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.87 138.98 47.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.76 -173.98 2.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.9 OUTLIER -137.41 149.23 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 t -122.23 157.57 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -110.1 116.49 31.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.415 HG11 ' CG2' ' A' ' 63' ' ' VAL . 6.0 t -102.76 136.42 35.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.2 t -123.02 113.77 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.472 ' CD1' HD12 ' A' ' 31' ' ' ILE . 15.6 mt -114.98 134.73 54.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 m -98.46 108.66 21.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.44 99.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.47 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -51.53 170.98 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.01 -14.03 21.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 t -131.26 -61.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.554 ' O ' ' C ' ' A' ' 28' ' ' GLY . 20.4 p -95.59 68.49 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.9 -90.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CD1' HG11 ' A' ' 99' ' ' VAL . 23.5 m-85 -115.17 -21.13 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.786 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 40.2 69.38 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.472 HD12 ' CD1' ' A' ' 21' ' ' LEU . 4.0 mt -130.79 145.73 35.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 0.741 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.1 mm100 -128.48 145.45 51.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' CD1' ' HB1' ' A' ' 86' ' ' ALA . 5.3 mt -117.0 164.86 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.455 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 3.2 mt -76.01 123.6 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 67' ' ' GLY . 22.2 mt -41.06 106.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 32' ' ' GLN . 3.1 t -64.62 -53.69 43.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.508 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 84.4 t80 -142.61 160.92 39.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.422 ' CG1' HG23 ' A' ' 49' ' ' ILE . 32.6 mt -130.8 111.34 20.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.21 149.16 3.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.13 161.24 19.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t70 53.75 21.17 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.0 165.55 13.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.495 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -74.98 -24.66 12.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.65 -28.12 65.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -96.75 -34.37 11.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -43.27 -59.16 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 58.2 m -60.67 -43.4 97.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 108.281 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.85 -15.33 43.4 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.415 ' CG2' HG11 ' A' ' 19' ' ' VAL . 27.5 m -51.11 -42.22 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.563 0.802 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.432 ' CD1' HD13 ' A' ' 21' ' ' LEU . 15.7 mt -76.76 105.07 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.65 145.49 24.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 5.3 mm -52.65 108.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 98.73 30.04 7.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.506 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -56.18 -177.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.603 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -120.02 69.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 70' ' ' VAL . 6.8 p -65.91 96.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -70.68 -32.54 69.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.481 ' O ' ' CG1' ' A' ' 73' ' ' ILE . . . -149.26 -169.82 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.481 ' CG1' ' O ' ' A' ' 72' ' ' ALA . 20.1 mt -155.84 98.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.88 11.88 4.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.93 -3.3 31.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.7 mm -83.79 131.84 50.63 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 106.49 2.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.793 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 p -82.33 60.81 5.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -153.65 40.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -169.43 -45.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -173.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.7 p -106.9 162.35 13.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.426 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.502 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.8 t80 -54.96 -21.48 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -76.35 -39.6 53.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.76 -66.35 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.402 ' HB1' ' CD1' ' A' ' 33' ' ' LEU . . . -40.83 -41.51 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.87 -54.41 39.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.55 -42.61 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.462 ' CB ' HG22 ' A' ' 73' ' ' ILE . 10.0 mt -47.22 -41.96 19.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.31 -45.45 76.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -29.12 67.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -79.76 -56.58 4.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.6 m -42.7 -33.28 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 m -49.07 -35.41 15.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.415 HD13 ' N ' ' A' ' 95' ' ' ILE . 1.8 mp -53.13 -65.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.3 t -69.42 -9.14 52.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.349 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.72 31.39 16.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -154.81 145.64 22.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 29' ' ' PHE . 14.1 p -142.15 147.19 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.415 ' N ' HG22 ' A' ' 99' ' ' VAL . 17.0 m -117.02 97.66 6.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.412 ' CD2' HG23 ' A' ' 70' ' ' VAL . 40.0 mt -91.35 120.12 31.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.85 115.35 27.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 16' ' ' THR . 4.8 mm -109.07 167.57 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -141.18 126.9 19.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.249 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.552 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.1 p90 -124.96 -179.82 4.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -128.06 156.89 42.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.357 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 47.8 mt-10 -129.26 149.9 50.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.48 144.49 36.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 110.398 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -130.18 142.85 50.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.353 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -104.54 119.61 39.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.413 HG12 ' CD1' ' A' ' 64' ' ' LEU . 4.8 t -95.02 130.97 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.4 t -124.49 100.58 7.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.37 121.35 42.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 23' ' ' ALA . 5.6 m -81.6 103.84 11.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 22' ' ' THR . . . -34.72 97.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.471 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -61.64 165.04 8.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -74.95 4.7 4.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.5 m -144.34 -59.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.594 ' O ' ' C ' ' A' ' 28' ' ' GLY . 22.1 p -105.68 70.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.594 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -19.94 -91.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CD1' HG13 ' A' ' 99' ' ' VAL . 21.3 m-85 -106.66 -22.24 12.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 53.11 68.28 1.7 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.475 HG12 ' CB ' ' A' ' 58' ' ' ALA . 8.3 mt -145.45 142.37 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.6 mt-30 -123.06 141.07 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 86' ' ' ALA . 49.3 mt -105.35 167.06 9.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.947 -0.443 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.437 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -79.72 167.14 21.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.422 HG23 ' CG1' ' A' ' 52' ' ' ILE . 52.9 mt -80.26 103.18 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.8 t -59.22 -55.13 38.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.522 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 81.8 t80 -150.62 155.82 40.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.422 ' CG1' HG23 ' A' ' 49' ' ' ILE . 34.9 mt -123.57 108.18 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.35 158.38 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.65 162.09 13.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t0 55.97 19.53 3.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.96 167.69 10.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.954 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -25.71 11.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.475 ' CB ' HG12 ' A' ' 31' ' ' ILE . . . -70.29 -24.2 62.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -97.04 -30.9 12.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -55.22 -56.76 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.3 p -57.34 -32.5 66.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.287 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.06 41.11 76.68 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.2 m -111.46 -3.11 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' CD1' HG12 ' A' ' 19' ' ' VAL . 3.2 mt -108.34 156.98 18.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -133.95 149.56 51.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.522 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 7.4 mm -64.76 114.4 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.98 25.56 31.48 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.437 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 4.0 t0 -57.53 -169.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.406 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -131.99 94.98 3.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.8 p -86.16 118.21 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 49.2 mmm -84.54 -16.92 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -169.57 160.27 8.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.7 mt -129.36 97.88 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.79 24.59 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.42 -11.4 61.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.406 ' CG2' HD11 ' A' ' 89' ' ' LEU . 11.2 mm -69.8 129.95 90.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.4 Cg_endo -74.99 91.67 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -66.38 73.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -176.72 35.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.5 36.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.482 ' HB3' ' CB ' ' A' ' 85' ' ' GLU . 6.1 m -142.54 -164.51 1.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.7 p -121.93 152.96 39.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -37.07 -39.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.7 mt-10 -62.16 -55.03 32.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 0.5 OUTLIER -37.27 -71.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.441 ' HB3' ' CD1' ' A' ' 33' ' ' LEU . . . -43.3 -45.75 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -58.94 -51.36 70.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -47.41 71.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.406 HD11 ' CG2' ' A' ' 76' ' ' ILE . 17.6 mt -40.81 -45.68 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.451 ' CD2' HG21 ' A' ' 99' ' ' VAL . 14.9 mt -60.8 -71.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' LEU . 3.7 mtp180 -36.84 -45.52 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -57.09 14.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 95' ' ' ILE . 18.9 m -42.64 -45.44 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.961 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 91' ' ' ARG . 7.7 p -39.53 -29.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.044 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' SER . 28.7 mt -52.16 -70.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.0 t -65.29 -10.1 29.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.57 25.83 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.93 125.04 10.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.573 HG13 ' CD1' ' A' ' 29' ' ' PHE . 14.9 p -114.46 143.47 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.2 m -120.07 121.43 38.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.4 mt -122.0 125.09 45.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -92.61 109.44 20.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.435 ' CG2' ' OD1' ' A' ' 68' ' ' ASP . 4.5 mm -108.86 164.67 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -142.59 125.53 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 4.1 p90 -126.5 177.25 6.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.96 133.78 55.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 43.7 mt-10 -118.25 142.87 47.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -100.54 137.2 39.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.407 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 t -112.66 141.61 46.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.64 126.12 41.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.0 t -113.1 123.65 68.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.459 ' CG1' ' HE2' ' A' ' 98' ' ' LYS . 61.9 t -105.51 115.25 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.408 HD11 ' CD1' ' A' ' 101' ' ' LEU . 6.7 mt -116.33 140.1 49.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.2 m -102.56 107.77 18.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.458 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.06 98.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.457 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -55.16 164.88 1.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.3 21.47 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.5 t -123.8 -57.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.545 ' O ' ' C ' ' A' ' 28' ' ' GLY . 13.0 p -108.9 73.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.24 -86.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.447 ' CE1' HG12 ' A' ' 99' ' ' VAL . 23.7 m-85 -114.71 -21.06 10.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 50.63 58.77 8.68 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.475 HG12 ' CB ' ' A' ' 58' ' ' ALA . 13.5 mt -127.59 142.62 43.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.2 mm-40 -126.93 127.41 44.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.406 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 2.0 mm? -92.95 158.11 15.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 2.1 mt -86.06 137.06 32.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.1 mt -50.67 93.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' GLN . 43.4 t -59.92 -58.47 8.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.511 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 72.6 t80 -143.57 151.53 40.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.8 mt -119.62 108.91 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.464 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 1.6 mp0 -50.23 156.22 0.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.54 168.49 13.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 t0 45.66 26.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 p -105.64 162.44 19.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.964 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -18.28 18.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 111.041 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.475 ' CB ' HG12 ' A' ' 31' ' ' ILE . . . -78.21 -24.01 47.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -93.08 -20.94 20.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -45.48 72.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.358 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -42.84 82.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 108.298 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.442 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 83.88 -48.69 4.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.9 m -42.42 -28.42 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.442 ' N ' ' C ' ' A' ' 62' ' ' GLY . 21.4 mt -76.4 98.44 4.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.435 ' N ' ' OD2' ' A' ' 68' ' ' ASP . 40.8 tt0 -95.77 157.37 15.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.511 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.0 mm -69.15 124.87 25.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.9 55.36 4.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.467 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 72.0 m-20 -96.13 -179.04 4.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.434 ' CZ ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -116.16 89.07 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 72' ' ' ALA . 10.9 p -87.1 119.79 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 102' ' ' GLU . 1.8 mmt -84.31 -27.66 27.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.454 ' O ' ' CG2' ' A' ' 70' ' ' VAL . . . -145.6 160.62 41.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 73' ' ' ILE . 7.2 mt -122.46 -0.08 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 2.7 p30 167.6 42.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.65 -40.32 2.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.8 mm -65.03 136.03 96.6 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 109.339 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 92.0 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.791 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.44 ' CG2' ' HA ' ' A' ' 72' ' ' ALA . 67.4 p -51.76 94.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.431 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -174.33 34.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 81' ' ' SER . 2.3 t70 -169.28 175.18 5.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 80' ' ' ASP . 0.9 OUTLIER 78.98 -151.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.2 p -117.19 157.84 25.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -28.67 13.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.82 -34.57 73.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -50.2 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -43.12 -42.03 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.76 -42.83 76.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 85' ' ' GLU . 84.8 mm-40 -62.32 -31.42 72.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.24 -41.03 75.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.364 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.3 mt -63.62 -54.9 28.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -52.33 -20.96 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.88 -50.76 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -47.49 -26.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 p -57.06 -20.95 27.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.8 mt -58.34 -65.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.1 t -74.4 -7.75 53.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.31 22.39 10.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.459 ' HE2' ' CG1' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -147.05 143.25 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.447 HG12 ' CE1' ' A' ' 29' ' ' PHE . 12.8 p -134.14 146.87 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -113.38 100.78 8.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.454 ' CD2' HG12 ' A' ' 73' ' ' ILE . 48.7 mt -99.09 115.83 29.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' MET . 0.6 OUTLIER -96.06 108.52 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.441 ' CG2' ' N ' ' A' ' 104' ' ' GLU . 36.3 mm -98.0 163.47 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.441 ' N ' ' CG2' ' A' ' 103' ' ' ILE . 4.4 tt0 -132.86 146.79 52.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 15' ' ' GLU . 38.2 p90 -146.37 -179.65 6.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.72 141.51 51.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 3.1 mt-10 -112.2 156.7 21.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.7 139.17 52.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.419 ' CG2' ' HB ' ' A' ' 103' ' ' ILE . 2.1 t -112.31 162.27 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.416 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.74 111.9 16.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.471 HG21 ' CD2' ' A' ' 64' ' ' LEU . 5.0 t -95.17 131.61 41.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.6 t -120.71 99.35 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.454 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -98.8 121.65 41.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 24' ' ' ASP . 2.8 m -83.73 102.21 12.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.443 ' CB ' ' HA ' ' A' ' 97' ' ' SER . . . -36.88 97.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.498 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -65.01 161.33 48.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.2 Cg_endo -75.08 0.53 8.82 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.453 1.764 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.9 t -129.2 -61.2 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.565 ' O ' ' C ' ' A' ' 28' ' ' GLY . 82.4 p -116.19 76.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.565 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -20.8 -90.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CD1' HG11 ' A' ' 99' ' ' VAL . 14.1 m-85 -111.42 -20.54 12.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.61 64.77 3.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.454 HG12 ' CB ' ' A' ' 58' ' ' ALA . 4.7 mt -136.87 147.13 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 50' ' ' SER . 7.4 mm-40 -134.83 136.0 42.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.478 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.1 mm? -98.59 154.54 17.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 2.9 mt -140.07 137.72 34.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.448 ' CG2' ' CG1' ' A' ' 52' ' ' ILE . 65.0 mt -52.61 92.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLN . 11.6 t -53.96 -58.58 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.938 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.508 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 76.3 t80 -138.83 157.5 45.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.448 ' CG1' ' CG2' ' A' ' 49' ' ' ILE . 48.9 mt -127.81 107.63 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.89 151.67 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.79 166.02 16.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 t70 48.59 30.49 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -110.83 164.36 15.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.427 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -75.05 -19.15 18.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.454 ' CB ' HG12 ' A' ' 31' ' ' ILE . . . -73.56 -25.27 60.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -97.0 -25.26 15.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -61.78 -38.98 90.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -43.01 86.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 108.279 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.73 6.28 84.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.1 m -102.49 -16.17 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 19' ' ' VAL . 27.7 mt -90.2 104.72 17.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 66' ' ' ILE . 10.2 tp60 -100.46 148.62 24.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.2 mm -58.66 113.12 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.82 26.62 7.04 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.128 . . . . 0.0 111.062 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.499 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 2.9 m-20 -53.47 -173.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.586 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -125.82 61.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.9 p -58.86 87.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 102' ' ' GLU . 49.7 mmm -66.08 -34.04 77.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.469 ' HA ' ' CG2' ' A' ' 78' ' ' THR . . . -147.88 -179.72 7.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.418 HG13 ' CG2' ' A' ' 78' ' ' THR . 69.7 mt -148.88 102.77 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 0.5 OUTLIER 74.6 11.06 3.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 109.244 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.89 -10.18 37.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.3 mm -79.2 132.56 62.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.2 Cg_endo -75.03 100.6 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 72' ' ' ALA . 50.5 p -62.12 79.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 77' ' ' PRO . 7.5 tt0 -172.31 -36.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.45 41.98 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.88 -171.24 2.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.0 p -101.22 153.86 19.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -48.22 -32.98 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.54 -40.26 84.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -43.5 -62.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' LEU . . . -42.4 -61.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -46.22 -36.37 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -71.92 -36.21 69.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' ALA . 14.6 mt -58.07 -21.47 45.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.7 mt -80.85 -51.22 8.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -58.35 -15.77 11.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -89.63 -54.04 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.55 -38.07 19.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.041 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.1 m -43.68 -31.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.958 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.8 mt -54.68 -64.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.2 t -70.36 -5.64 29.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.398 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.443 ' HA ' ' CB ' ' A' ' 23' ' ' ALA . 1.9 m 58.92 33.24 22.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.31 121.25 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.572 HG11 ' CD1' ' A' ' 29' ' ' PHE . 7.4 p -113.45 147.27 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.6 m -122.14 103.78 9.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.402 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.42 HD12 ' CD1' ' A' ' 31' ' ' ILE . 47.8 mt -98.89 118.77 36.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' MET . 2.4 tt0 -92.17 107.21 19.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.419 ' HB ' ' CG2' ' A' ' 17' ' ' THR . 3.9 mm -102.23 167.05 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -141.4 122.29 14.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 15' ' ' GLU . 1.8 p90 -123.39 177.73 5.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.251 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.32 136.12 47.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -117.32 148.15 41.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.254 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -102.12 143.8 31.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t -117.87 142.6 47.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.364 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -109.15 115.19 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.524 ' CG1' HD21 ' A' ' 101' ' ' LEU . 0.8 OUTLIER -104.07 151.56 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.37 103.71 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.473 ' CD1' HD13 ' A' ' 31' ' ' ILE . 23.7 mt -100.75 125.12 47.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' ALA . 4.9 m -93.63 107.12 19.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.449 ' HA ' ' C ' ' A' ' 28' ' ' GLY . . . -37.59 104.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.449 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -43.81 162.74 0.19 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 10.59 1.67 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.534 ' CG2' ' H ' ' A' ' 27' ' ' THR . 2.6 m -140.8 -82.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.534 ' H ' ' CG2' ' A' ' 26' ' ' VAL . 39.7 p -63.56 -72.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 57' ' ' PRO . . . 136.24 -95.1 0.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.49 ' CE1' HG13 ' A' ' 99' ' ' VAL . 28.2 m-85 -111.61 -23.56 10.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.428 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 49.59 71.04 0.67 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 21' ' ' LEU . 6.3 mt -144.62 143.26 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.73 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.5 mt-30 -126.34 145.34 50.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 86' ' ' ALA . 13.9 mt -107.2 157.4 17.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.48 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 0.7 OUTLIER -82.98 141.03 32.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.472 ' CD1' ' OD2' ' A' ' 68' ' ' ASP . 34.4 mt -60.68 104.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLN . 6.4 t -65.72 -55.38 17.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 83.3 t80 -142.77 152.19 42.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 66' ' ' ILE . 18.3 mt -118.14 108.18 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -49.79 149.5 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -82.29 171.17 14.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 43.35 28.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 54' ' ' ALA . 2.9 p -109.24 163.95 15.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.522 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.0 -17.72 19.3 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 29' ' ' PHE . . . -74.59 -35.41 63.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -83.49 -22.18 32.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -68.91 -47.33 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -41.89 78.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 108.281 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 82.1 -49.62 4.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -40.71 -31.9 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' A' ' 62' ' ' GLY . 16.0 mt -73.79 105.28 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -105.68 144.74 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 22.4 mm -58.52 125.02 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.35 30.55 16.09 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.48 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 38.4 p-10 -72.19 178.02 4.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.441 ' CZ ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -122.93 75.47 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p -72.9 115.51 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.0 mtp -84.56 -21.05 30.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.84 154.21 33.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.45 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 30.0 mt -119.87 -2.94 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.6 p30 170.0 42.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.91 -34.89 4.3 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.0 mm -63.22 139.31 97.54 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 93.37 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.1 p -68.05 72.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -178.65 61.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -177.98 -39.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m -78.62 -169.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 85' ' ' GLU . 7.4 p -106.93 153.0 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.9 t80 -38.47 -35.17 0.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -50.22 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -48.16 -60.77 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.46 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . . . -54.2 -54.74 35.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.411 ' ND2' ' CZ ' ' A' ' 83' ' ' PHE . 1.9 t-20 -48.35 -38.88 20.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 91' ' ' ARG . 2.3 tp-100 -65.06 -43.44 92.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.2 mt -43.23 -44.62 5.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.54 -40.17 77.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' GLN . 4.5 mtp180 -61.63 -33.19 73.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.324 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -86.95 -46.04 10.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.6 m -43.85 -37.51 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.96 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.7 p -44.62 -30.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.7 mt -59.64 -67.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.6 t -72.14 -5.28 34.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.359 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m 49.9 33.09 6.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.27 133.11 15.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.49 HG13 ' CE1' ' A' ' 29' ' ' PHE . 10.4 p -134.54 150.53 30.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.418 ' N ' HG23 ' A' ' 99' ' ' VAL . 6.3 m -116.59 106.5 13.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.524 HD21 ' CG1' ' A' ' 19' ' ' VAL . 1.3 mm? -98.99 115.3 28.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.93 106.17 18.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 16' ' ' THR . 4.3 mm -101.31 158.35 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.441 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.6 tt0 -134.24 127.0 30.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.467 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 4.9 p90 -128.61 179.38 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.7 p30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 p -120.52 150.3 41.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.382 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -119.27 -177.86 3.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.19 139.42 47.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.43 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.0 t -124.76 141.13 52.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' OE2' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -95.58 120.5 35.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.1 t -99.27 117.1 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.408 ' CG2' ' OE2' ' A' ' 18' ' ' GLU . 42.5 t -105.83 104.52 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.467 ' CD1' HD13 ' A' ' 31' ' ' ILE . 15.3 mt -107.98 137.81 45.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.8 m -101.01 108.24 19.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' THR . . . -39.83 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.473 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -52.64 170.64 0.24 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.2 Cg_endo -75.03 -13.17 21.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.5 t -131.04 -61.87 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.574 ' O ' ' C ' ' A' ' 28' ' ' GLY . 29.5 p -97.07 69.88 2.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.362 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.574 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -21.8 -78.61 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.575 1.172 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CE2' HD12 ' A' ' 90' ' ' LEU . 19.5 m-30 -115.97 -28.44 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 56.03 59.34 10.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.467 HD13 ' CD1' ' A' ' 21' ' ' LEU . 10.1 mt -133.69 144.21 36.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.779 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.5 mm-40 -126.1 131.1 52.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -92.76 155.43 17.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -81.36 145.39 30.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 64' ' ' LEU . 12.1 mt -60.52 95.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLN . 9.7 t -54.98 -53.49 55.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.972 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.524 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 86.2 t80 -148.24 156.72 42.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.5 mt -118.46 104.46 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.81 152.6 1.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.66 161.34 14.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.79 17.7 4.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.39 169.8 6.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -18.96 18.51 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.512 ' O ' ' CD2' ' A' ' 64' ' ' LEU . . . -72.04 -22.61 61.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.42 -30.86 15.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -52.32 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.415 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 11.7 p -58.6 -25.48 62.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 108.286 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 38.64 52.53 2.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.474 ' CG2' HD12 ' A' ' 64' ' ' LEU . 22.8 m -119.65 -6.49 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -97.33 137.95 35.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -111.37 141.36 45.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.524 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 11.0 mm -53.98 106.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 95.48 36.9 5.22 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.498 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 1.2 t0 -57.76 -160.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.502 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -137.74 55.06 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.476 ' CG1' HG21 ' A' ' 78' ' ' THR . 1.4 t -40.84 110.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.7 mmm -79.71 -22.18 43.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -175.04 161.47 2.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 14.6 mt -126.51 104.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.449 ' ND2' ' OG ' ' A' ' 93' ' ' SER . 0.9 OUTLIER 66.64 16.29 10.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.23 -21.49 19.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.9 mm -62.45 130.31 93.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.4 Cg_endo -75.0 93.85 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.511 1.795 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.476 HG21 ' CG1' ' A' ' 70' ' ' VAL . 1.7 p -62.59 78.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 77' ' ' PRO . 20.1 tt0 -177.63 38.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.8 t0 178.88 59.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.426 ' HB3' ' CB ' ' A' ' 85' ' ' GLU . 14.5 m -164.24 -166.72 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.03 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.415 ' C ' ' N ' ' A' ' 84' ' ' GLU . 6.2 p -117.34 150.48 38.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.367 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.435 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 8.1 t80 -42.14 -26.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.05 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 82' ' ' THR . 7.2 mt-10 -75.96 -51.76 11.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 26.6 mm-40 -38.81 -66.65 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -44.03 -61.46 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 83' ' ' PHE . 13.5 m-20 -44.49 -41.55 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.78 -44.09 86.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.8 mt -50.16 -35.26 25.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.592 HD12 ' CE2' ' A' ' 29' ' ' PHE . 4.4 mm? -70.65 -58.44 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -46.27 -48.73 17.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -60.43 3.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.449 ' OG ' ' ND2' ' A' ' 74' ' ' ASN . 44.8 m -44.45 -37.36 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.5 t -46.83 -24.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.0 mt -54.87 -60.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.8 t -74.54 -1.89 23.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.49 33.1 22.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.21 134.01 10.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.567 HG12 ' CE1' ' A' ' 29' ' ' PHE . 11.6 p -135.46 145.61 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 m -115.47 97.3 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.379 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.63 115.79 28.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -82.92 119.72 24.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 8.9 mm -114.23 164.0 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.482 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.8 tt0 -132.05 127.36 35.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.492 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 3.1 p90 -132.86 178.12 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.38 135.08 54.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.435 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 14.1 mt-10 -118.5 145.09 45.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.01 139.98 37.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -114.7 146.4 40.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.84 123.08 47.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 t -112.0 107.74 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 3.2 p -90.24 105.8 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.3 mt -105.76 134.42 48.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.4 m -100.33 109.66 21.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.81 98.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.466 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -50.2 170.6 0.16 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.01 -14.75 21.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.528 1.804 . . . . 0.0 111.051 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.2 t -129.35 -62.42 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.562 ' O ' ' C ' ' A' ' 28' ' ' GLY . 33.8 p -96.26 69.66 2.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.09 -89.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.53 ' CD2' HD22 ' A' ' 90' ' ' LEU . 23.9 m-85 -112.0 -24.14 10.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.77 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.431 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 49.45 66.84 2.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 111.052 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.3 mt -133.99 145.44 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -128.24 134.44 48.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -101.77 165.3 11.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.945 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' PRO . 0.8 OUTLIER -38.73 138.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.6 mt -65.5 94.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.0 t -52.37 -58.61 6.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.519 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 89.9 t80 -148.13 158.46 44.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 111.038 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.9 mt -123.02 109.87 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.431 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -51.05 149.83 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.38 169.98 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.5 t0 45.02 28.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.25 164.96 13.61 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.44 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.04 -18.99 18.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.407 1.741 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.32 -43.26 64.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -75.46 -27.88 59.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -60.54 -46.4 90.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -42.98 82.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.252 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 82.35 -48.44 3.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.1 m -41.55 -30.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' A' ' 62' ' ' GLY . 13.1 mt -74.41 107.52 6.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -102.19 154.37 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 6.0 mm -69.67 119.06 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.408 ' CA ' HD21 ' A' ' 48' ' ' LEU . . . 85.79 38.34 8.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -177.82 6.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -120.43 98.27 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 72' ' ' ALA . 9.7 p -96.63 123.2 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.402 ' O ' ' OG1' ' A' ' 78' ' ' THR . 5.6 mtp -86.95 -22.89 25.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.481 ' O ' ' CG2' ' A' ' 70' ' ' VAL . . . -151.85 156.43 40.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' A' ' 73' ' ' ILE . 16.0 mt -119.41 1.62 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.9 p30 169.51 43.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.57 -33.75 4.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.409 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 19.6 mm -66.21 139.96 96.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.75 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.2 Cg_endo -74.97 98.67 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.515 1.798 . . . . 0.0 111.02 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.438 ' CG2' ' HA ' ' A' ' 72' ' ' ALA . 33.1 p -59.17 84.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.395 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.2 OUTLIER 179.16 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.69 -25.12 65.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.0 m -97.45 -164.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.4 p -114.65 165.39 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.432 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -52.83 -26.88 15.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.92 -45.5 64.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.3 -53.15 30.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.333 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' A' ' 73' ' ' ILE . . . -41.04 -59.41 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -53.46 -44.15 68.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -45.41 94.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.6 mt -42.13 -50.92 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.53 HD22 ' CD2' ' A' ' 29' ' ' PHE . 20.2 mt -57.86 -62.17 2.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -39.5 -39.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.472 ' O ' ' CD1' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -78.57 -49.73 12.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -46.37 -26.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t -54.45 -39.61 67.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 1.8 mp -44.75 -73.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 t -62.03 -16.17 49.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.31 29.6 7.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.4 143.19 22.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.473 HG23 ' CD1' ' A' ' 101' ' ' LEU . 11.7 p -139.59 150.9 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.3 m -116.91 97.6 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.376 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.473 ' CD1' HG23 ' A' ' 99' ' ' VAL . 3.1 mp -92.26 110.6 22.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.33 104.29 16.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.6 mm -99.48 160.59 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -134.22 145.99 49.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 15' ' ' GLU . 34.8 p90 -143.83 -179.23 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.179 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 m -92.5 136.59 33.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.36 85.81 2.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.16 159.32 10.0 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 m -44.31 105.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 0.735 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -84.73 165.54 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.4 -115.01 0.8 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.5 85.17 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.29 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.11 89.46 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -77.14 153.48 34.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.756 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.5 t -120.71 161.65 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 107' ' ' VAL . 9.9 p -80.75 163.16 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -95.98 166.33 11.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.617 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 p -128.24 144.05 51.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.47 177.43 4.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.8 140.83 50.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -125.92 141.61 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.5 122.33 40.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.3 t -95.6 120.51 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.475 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 6.1 p -107.07 104.82 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD1' HD11 ' A' ' 31' ' ' ILE . 31.4 mt -109.4 132.36 54.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.6 m -98.95 110.38 23.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.27 99.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.45 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -57.69 164.2 3.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.0 2.89 6.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 m -141.66 -60.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.548 ' O ' ' C ' ' A' ' 28' ' ' GLY . 10.5 p -103.8 69.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.395 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.7 -89.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.552 ' CD1' HG13 ' A' ' 99' ' ' VAL . 24.5 m-85 -113.58 -28.42 7.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 111.045 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 44.86 65.01 1.94 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.451 HD11 ' CD1' ' A' ' 21' ' ' LEU . 19.2 mt -126.08 142.64 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 50' ' ' SER . 5.1 mm-40 -123.71 140.44 52.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.49 159.28 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.52 133.96 55.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.67 -129.33 1.2 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.64 -176.12 5.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.987 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.4 p -103.57 -43.6 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -104.19 151.88 22.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -165.74 -169.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.243 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.3 m -106.86 -41.87 5.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.364 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -151.02 -51.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.9 p -108.94 -133.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.355 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.8 tp -132.15 9.02 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.1 p 51.42 23.72 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.9 p 177.61 151.71 0.41 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.004 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.58 34.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.78 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HG2' ' CG1' ' A' ' 70' ' ' VAL . 18.3 Cg_endo -75.0 105.69 2.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.069 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 1.4 mt -97.87 148.09 23.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.411 ' CD1' ' OD2' ' A' ' 68' ' ' ASP . 21.6 mt -64.43 99.55 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.0 t -60.47 -56.44 21.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.513 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 76.9 t80 -146.36 154.82 42.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.3 mt -126.79 111.05 24.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.99 153.31 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.02 157.81 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 61.22 15.14 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.31 170.43 6.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.4 Cg_endo -75.01 -27.43 10.01 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.434 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . . . -69.3 -26.2 64.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 62' ' ' GLY . 6.1 tp10 -96.45 -41.0 8.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.31 -47.46 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 80.2 m -62.69 -40.86 98.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 108.27 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 70.79 4.94 55.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.143 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.6 m -85.02 -12.46 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.5 mt -98.5 104.47 16.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -86.74 159.15 19.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.34 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.513 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 4.7 mm -74.14 114.32 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.06 35.83 6.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.432 1.083 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.467 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 83.9 m-20 -64.41 -176.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.471 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -126.68 82.61 2.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.422 ' CG1' ' HG2' ' A' ' 47' ' ' PRO . 9.6 p -73.29 117.63 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 56.0 mmm -89.29 -11.88 42.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -175.97 161.57 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.6 mt -129.04 99.57 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.478 ' ND2' ' H ' ' A' ' 100' ' ' THR . 0.9 OUTLIER 68.48 26.23 6.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.17 -22.19 37.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 18.1 mm -61.4 125.88 85.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.2 Cg_endo -75.03 95.9 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -61.04 84.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.442 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -171.71 47.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 t0 172.88 176.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.0 m 70.9 -163.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.1 p -112.35 154.92 24.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -44.34 -30.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.66 -44.31 94.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.33 -60.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.93 -47.19 74.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -55.71 -41.08 73.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -42.72 99.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.346 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.6 mt -45.44 -56.38 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 91' ' ' ARG . 16.2 mt -49.84 -67.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 94' ' ' SER . 15.7 mtt180 -37.59 -59.48 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -50.99 -50.1 59.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.401 ' CB ' ' HB ' ' A' ' 99' ' ' VAL . 6.0 m -44.49 -32.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 91' ' ' ARG . 16.3 m -51.91 -32.55 33.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.034 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.5 mt -51.8 -65.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.2 t -69.65 -6.74 33.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.14 27.69 15.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.974 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -155.08 130.98 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.552 HG13 ' CD1' ' A' ' 29' ' ' PHE . 12.1 p -125.21 140.43 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.478 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 1.2 m -111.56 123.87 51.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.3 mt -118.93 119.65 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -85.7 106.18 16.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 104' ' ' GLU . 4.0 mm -101.25 163.12 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.41 ' N ' HG23 ' A' ' 103' ' ' ILE . 2.2 tt0 -136.27 123.74 22.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.506 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.1 p90 -130.46 175.97 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.73 157.37 16.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.493 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 16.5 t -122.8 136.79 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.66 140.16 58.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -119.92 168.48 11.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 57.3 p -59.71 103.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.8 p -165.16 141.39 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 4.7 mt -89.87 141.36 28.15 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.99 -175.78 2.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 t -94.67 140.03 30.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.959 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 98.5 p -71.53 109.32 5.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -165.03 -140.08 2.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.0 m -128.62 124.57 36.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.77 . . . . 0.0 109.98 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 156.11 -80.72 0.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.65 13.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 80.4 p -123.02 136.32 54.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.6 m -52.82 146.55 10.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.06 81.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.984 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -115.08 129.35 56.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.06 124.47 6.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -140.59 129.72 23.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 110.045 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.05 87.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.01 127.13 8.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.03 -61.96 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 0.737 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.73 -63.62 0.18 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -58.46 150.92 21.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 0.783 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.1 t -122.37 161.51 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 p -79.96 163.07 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -108.39 166.74 10.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -129.0 155.34 45.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.457 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -131.43 148.92 52.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.96 154.15 20.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 t -140.09 146.16 38.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.403 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.32 119.51 38.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.4 t -99.61 117.05 44.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t -101.4 117.6 46.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 31' ' ' ILE . 22.1 mt -119.07 131.04 55.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -98.94 110.88 23.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.423 ' HB1' ' CZ ' ' A' ' 29' ' ' PHE . . . -45.05 100.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.444 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -57.08 163.78 2.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 2.5 6.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.9 m -141.4 -60.03 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.555 ' O ' ' C ' ' A' ' 28' ' ' GLY . 8.3 p -104.32 69.63 0.93 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.63 -87.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.575 ' CD1' HG13 ' A' ' 99' ' ' VAL . 13.5 m-85 -116.67 -29.86 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.83 68.95 1.11 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.469 HD12 ' CD1' ' A' ' 21' ' ' LEU . 24.2 mt -134.99 141.66 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.753 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' SER . 3.9 mm-40 -125.06 142.57 51.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -103.23 163.32 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.15 155.42 19.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.38 -142.05 9.51 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.3 173.39 1.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 0.794 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.2 m -116.19 -39.9 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -104.26 138.4 40.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -175.13 -163.33 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 m -127.26 -77.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.413 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.69 -33.97 9.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.4 p -125.95 -134.19 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.416 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' SER . 10.5 mt -94.13 10.98 31.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' LEU . 8.0 t 38.87 33.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 43' ' ' LEU . 2.8 p -178.01 157.79 1.14 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 149.24 36.23 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.42 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 18.3 Cg_endo -75.02 106.99 2.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -89.62 147.77 23.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.477 HG22 ' CG1' ' A' ' 52' ' ' ILE . 30.5 mt -61.95 105.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' GLN . 12.5 t -65.79 -54.51 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.502 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 93.4 t80 -142.58 161.53 37.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.477 ' CG1' HG22 ' A' ' 49' ' ' ILE . 27.2 mt -135.41 106.56 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -49.99 153.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.53 163.66 15.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.2 t0 54.14 20.24 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.21 166.29 12.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.047 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -74.97 -19.38 17.97 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.532 1.806 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.5 -27.96 60.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' GLY . 5.9 tp10 -96.84 -41.4 8.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.39 -56.4 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.404 ' CB ' HG22 ' A' ' 63' ' ' VAL . 13.2 m -59.96 -33.02 71.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.273 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 61.56 16.53 50.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.404 HG22 ' CB ' ' A' ' 61' ' ' CYS . 28.4 m -90.48 0.76 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 mt -119.51 112.49 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -93.56 152.49 19.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 19.3 mm -65.62 101.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.04 32.31 3.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 34.0 p-10 -56.33 -168.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.41 53.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' CG1' ' O ' ' A' ' 47' ' ' PRO . 4.3 p -42.65 117.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.5 mmm -93.69 -16.83 23.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -175.72 157.44 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.511 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 94.9 mt -124.53 90.13 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.1 m-20 82.4 13.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.56 -26.7 9.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.1 mt -60.54 139.53 92.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 112.19 3.5 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 p -79.48 67.81 5.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.336 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 178.13 38.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -166.83 58.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -179.86 -171.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 p -98.94 152.25 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -47.32 -27.9 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLN . 48.0 mt-10 -67.06 -43.98 81.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.78 -67.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.68 -55.85 12.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -53.32 -21.43 5.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -88.24 -35.54 17.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.51 -16.85 17.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.8 mt -81.92 -55.01 4.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 92' ' ' ASP . 2.1 ptt180 -53.13 -20.37 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 91' ' ' ARG . 1.6 t0 -80.64 -65.02 1.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 92' ' ' ASP . 10.3 m -39.44 -38.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.4 t -41.86 -29.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.401 ' N ' ' C ' ' A' ' 93' ' ' SER . 12.9 mt -56.38 -67.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 t -69.41 -6.42 29.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.18 25.46 8.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -151.28 132.17 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.575 HG13 ' CD1' ' A' ' 29' ' ' PHE . 9.9 p -126.97 144.24 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.3 m -110.1 143.22 40.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.2 mt -135.65 114.85 12.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -82.78 117.36 22.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 11.8 mm -115.37 162.9 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -143.64 122.84 12.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 6.3 p90 -121.86 179.74 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -104.51 158.34 16.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 23.2 t -125.75 145.15 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.16 152.86 42.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -115.61 169.02 9.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 110.255 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.5 t -83.28 107.55 15.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.983 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.44 142.2 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.1 pt -60.95 154.06 62.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.85 21.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.1 p -162.98 139.87 7.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.61 139.29 2.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.29 -114.86 0.63 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.7 p -174.93 122.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.035 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -103.14 128.37 9.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 82.84 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.9 p -71.62 132.45 44.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.6 p -156.42 117.66 3.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 54.97 102.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -162.3 95.06 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.68 164.3 33.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -45.45 121.16 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.794 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 t -147.25 118.76 7.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.28 93.61 1.54 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.54 175.9 11.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.42 101.57 0.16 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -93.43 129.01 39.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 p -156.91 167.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.7 p -119.96 163.07 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.424 ' CE1' ' HB ' ' A' ' 107' ' ' VAL . 55.8 p-80 -105.05 165.82 10.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.574 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.13 139.55 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 19.3 mt-10 -112.57 157.08 21.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.34 149.63 38.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.4 ' CG2' ' HB ' ' A' ' 103' ' ' ILE . 5.2 t -123.97 153.36 41.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.368 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -112.6 115.71 29.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.5 t -107.27 115.22 48.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.8 p -102.21 118.9 49.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.411 HD12 ' CD1' ' A' ' 64' ' ' LEU . 48.2 mt -115.9 141.32 48.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.6 m -107.67 109.29 20.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.79 99.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.449 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -58.44 164.01 4.28 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.403 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -75.01 2.95 6.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.7 m -140.61 -60.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.562 ' O ' ' C ' ' A' ' 28' ' ' GLY . 34.4 p -104.6 69.38 0.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.446 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.83 -87.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.096 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.574 ' CE1' HG13 ' A' ' 99' ' ' VAL . 20.7 m-85 -114.9 -30.64 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.999 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.61 66.67 2.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.424 HG12 ' CB ' ' A' ' 58' ' ' ALA . 14.6 mt -134.54 142.37 40.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 50' ' ' SER . 5.3 mp0 -126.95 141.53 51.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 86' ' ' ALA . 8.8 mt -111.96 160.91 16.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -112.42 165.48 12.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -159.74 -159.86 10.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.06 -177.03 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.027 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 m -110.38 -35.05 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 1.1 p90 -121.01 152.57 38.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 38' ' ' PHE . . . 169.59 -174.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.7 m -76.4 -78.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.36 -59.61 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.503 ' OG1' ' N ' ' A' ' 43' ' ' LEU . 7.1 t -122.82 -135.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.503 ' N ' ' OG1' ' A' ' 42' ' ' THR . 10.1 mt -87.45 12.67 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 38.72 38.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.949 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 173.08 170.01 0.25 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.27 35.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.405 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.02 94.44 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.564 1.823 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 1.2 mt -74.04 130.52 39.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.454 ' CD1' ' OD2' ' A' ' 68' ' ' ASP . 41.3 mt -51.02 112.26 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.8 t -67.83 -52.78 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.508 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 86.5 t80 -141.4 158.43 43.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.0 mt -128.21 111.56 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.46 151.12 2.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.36 163.63 18.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 t0 49.48 23.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 p -102.05 163.91 16.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.476 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.4 Cg_endo -74.93 -16.15 20.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.428 1.752 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.424 ' CB ' HG12 ' A' ' 31' ' ' ILE . . . -77.04 -28.26 54.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -97.23 -27.65 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -54.05 -53.15 57.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.3 m -60.46 -43.89 96.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.288 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.31 -19.9 24.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.9 m -57.55 -38.25 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.411 ' CD1' HD12 ' A' ' 21' ' ' LEU . 32.1 mt -78.05 98.79 5.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 66' ' ' ILE . 20.9 tp60 -92.96 146.92 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.2 mm -51.92 113.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 93.08 35.92 6.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.506 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 39.8 m-20 -59.38 -175.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.481 ' HD3' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -120.88 55.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 70' ' ' VAL . 9.8 p -58.48 90.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 102' ' ' GLU . 69.5 mmm -70.08 -28.42 65.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -152.9 164.32 38.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 92.1 mt -131.89 104.16 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 71.35 7.86 6.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.08 -15.18 21.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.439 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 4.3 mt -72.28 141.09 83.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.453 0.737 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.439 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.0 119.28 5.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.5 p -95.75 62.05 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -172.85 64.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.5 t0 176.66 -44.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -170.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 p -96.8 155.85 16.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -51.48 -30.33 19.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -66.81 -34.97 78.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.21 -68.37 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.449 ' HB3' ' CD1' ' A' ' 33' ' ' LEU . . . -40.66 -48.52 2.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -55.51 -52.26 64.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -46.68 68.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.7 mt -40.22 -49.45 2.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.63 -59.58 4.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -34.66 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.87 -48.11 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.1 -37.27 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.047 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.37 -28.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.8 mt -54.7 -72.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.1 t -67.99 -8.13 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.22 27.19 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.059 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.21 147.97 29.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.574 HG13 ' CE1' ' A' ' 29' ' ' PHE . 8.5 p -148.53 139.36 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.6 m -111.33 105.87 14.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 110.448 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -92.37 114.22 26.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 71' ' ' MET . 6.3 tt0 -90.79 114.95 27.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.432 HG23 ' NH2' ' A' ' 69' ' ' ARG . 3.8 mm -109.82 167.37 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.426 ' CB ' ' HG3' ' A' ' 71' ' ' MET . 3.9 tt0 -141.19 124.42 16.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 1.2 p90 -121.17 -179.6 4.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.4 146.41 33.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.424 ' HB ' ' CE1' ' A' ' 13' ' ' HIS . 4.0 t -108.66 149.16 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.39 144.38 49.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -93.55 165.84 12.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.0 m -65.85 99.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.7 147.48 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 18.4 mm -43.55 141.15 2.16 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.98 139.46 24.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.62 109.54 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 85.6 p -121.84 167.97 12.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -112.85 -106.08 2.77 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.6 p -127.44 119.3 25.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.985 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 176.6 -147.01 8.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 170.14 21.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.06 -65.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.6 m -136.71 -63.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.035 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -121.92 164.06 18.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 110.019 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.6 t 63.23 138.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.47 -60.08 0.17 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -54.93 151.59 8.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 110.003 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -141.83 128.61 20.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.0 -132.57 1.59 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.78 -66.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.43 94.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -94.39 128.95 41.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.1 p -156.05 169.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 107' ' ' VAL . 7.9 p -105.74 163.5 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -112.49 163.86 13.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.78 141.34 50.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -121.26 158.87 27.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.23 147.47 32.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 t -124.75 157.16 36.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -107.73 119.15 38.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.2 t -96.06 118.63 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.7 p -105.02 120.46 55.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.2 mt -128.14 135.84 50.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.0 m -98.62 111.15 23.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.67 98.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.446 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.41 169.77 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.403 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.6 Cg_endo -74.95 -13.87 21.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.7 t -129.82 -61.36 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 28' ' ' GLY . 17.4 p -97.84 69.5 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.575 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -19.59 -90.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.446 ' CD1' HG11 ' A' ' 99' ' ' VAL . 18.6 m-85 -105.74 -24.45 12.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.53 65.61 3.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 58' ' ' ALA . 20.8 mt -138.2 145.71 28.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.5 mm100 -121.54 146.51 46.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mt -115.98 164.45 14.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.45 137.02 53.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.7 -127.97 2.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -144.7 154.61 42.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m -43.8 -49.69 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -136.03 -48.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 73.57 154.49 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.4 m -76.8 -79.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.95 -67.2 0.91 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.2 p -119.98 -134.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 45' ' ' SER . 20.9 tp -124.76 6.85 8.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER 37.72 31.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.976 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER 178.0 160.89 0.6 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 151.2 39.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 114.09 3.95 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.447 1.762 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 1.9 mt -94.39 138.89 31.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.458 ' CD1' ' OD2' ' A' ' 68' ' ' ASP . 32.1 mt -53.87 109.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 32' ' ' GLN . 7.4 t -72.14 -50.39 28.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.526 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 62.3 t80 -149.49 149.77 31.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.6 mt -113.64 107.59 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' HA ' ' CE2' ' A' ' 51' ' ' TYR . 1.8 mp0 -51.05 158.73 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.22 163.36 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.1 t0 53.6 20.68 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 p -101.09 161.24 24.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -18.59 18.47 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.468 ' CB ' HG12 ' A' ' 31' ' ' ILE . . . -74.25 -23.98 59.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -94.85 -31.68 13.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.94 -47.82 79.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -42.55 90.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.276 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.41 30.33 77.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -108.09 -6.18 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mt -106.77 134.87 49.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -114.79 148.83 37.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 13.0 mm -59.45 110.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 95.99 25.21 13.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.483 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 44.2 p-10 -52.34 -179.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.27 77.89 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.8 p -70.82 112.69 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.05 -26.68 53.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.61 155.9 29.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.2 mt -129.21 103.84 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.39 10.93 4.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.95 -17.9 29.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 5.8 mm -65.07 135.72 96.43 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.3 Cg_endo -75.01 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.444 1.76 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.3 p -87.83 93.67 9.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 176.83 39.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.89 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -177.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.6 p -98.11 149.83 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.447 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -46.92 -32.35 3.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -63.31 -39.17 93.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -66.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.42 -46.27 2.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.43 -58.83 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.37 -46.91 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.12 -59.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.6 mt -46.63 -65.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -40.04 -52.23 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -57.6 -53.62 56.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 m -48.08 -30.98 4.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 p -55.29 -20.08 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.011 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.8 mt -63.12 -67.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.0 t -65.42 -11.33 41.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.16 23.43 5.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.97 132.15 15.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.446 HG11 ' CD1' ' A' ' 29' ' ' PHE . 11.4 p -122.08 144.84 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 m -120.14 103.54 9.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.1 mt -98.8 121.12 40.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -88.27 103.83 16.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 104' ' ' GLU . 21.9 mm -100.43 167.18 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.413 ' N ' ' CG2' ' A' ' 103' ' ' ILE . 4.3 tt0 -134.57 135.75 42.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.547 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.3 p90 -134.68 178.68 6.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -102.44 149.14 24.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.486 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 16.8 t -122.56 148.82 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.86 126.16 35.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -111.69 159.93 17.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.25 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.0 t -71.9 103.23 3.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.8 p -149.55 162.17 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.9 pp -60.66 111.23 3.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 155.26 42.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.447 1.762 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.4 t -171.38 -55.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.7 p -68.42 125.18 25.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.022 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 121.6 -134.5 10.01 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.1 p -165.16 130.8 2.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -41.34 119.28 1.57 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.547 1.154 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 111.28 3.29 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -59.4 5.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.7 m -72.42 -61.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m 42.07 90.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.771 . . . . 0.0 109.997 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.67 90.47 5.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.05 -173.19 39.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.16 98.54 9.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 p -81.71 157.73 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.003 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.65 -119.12 0.08 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.414 1.071 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -111.7 176.67 4.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.731 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.28 -117.15 2.57 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -177.38 -149.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 0.793 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.1 t 73.02 152.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 107' ' ' VAL . 9.8 p -81.73 163.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -110.58 165.31 11.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.582 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.68 142.76 51.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.395 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -125.83 153.11 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.6 OUTLIER -103.88 158.58 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.425 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 t -137.06 165.86 25.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -115.13 116.13 27.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.413 HG13 ' CD2' ' A' ' 64' ' ' LEU . 6.3 t -99.53 109.88 25.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 p -99.25 118.43 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.6 mt -118.6 132.12 56.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.1 m -95.25 105.6 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.372 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -41.23 98.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.466 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -51.43 170.22 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.405 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -74.99 -13.58 21.38 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.779 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.7 t -130.53 -60.96 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.544 ' O ' ' C ' ' A' ' 28' ' ' GLY . 23.1 p -96.95 68.88 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -24.29 -86.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.45 1.093 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.472 ' CD1' HG12 ' A' ' 99' ' ' VAL . 14.7 m-85 -115.8 -27.77 6.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.88 68.25 1.57 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.1 mt -134.97 143.46 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.64 136.38 53.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.489 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.1 mm? -97.64 159.92 14.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -121.5 146.84 46.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.09 -148.74 22.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.5 t -161.04 176.34 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.003 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.93 -47.33 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -100.24 135.37 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -169.86 -158.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.6 m -128.14 -62.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -118.69 -38.0 3.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 78.8 p -128.76 -134.42 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 mt -94.65 12.32 28.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 45' ' ' SER . 0.1 OUTLIER 39.85 37.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.6 OUTLIER 165.34 166.89 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 162.05 37.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.417 ' CD ' HG21 ' A' ' 78' ' ' THR . 18.2 Cg_endo -75.05 103.64 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.768 . . . . 0.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 11.8 mt -77.43 129.81 36.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.414 ' CD1' ' OD2' ' A' ' 68' ' ' ASP . 7.8 mt -49.73 117.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -46.03 23.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.508 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 84.3 t80 -151.2 156.99 42.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.89 107.84 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.92 153.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -88.08 169.53 11.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 45.78 26.19 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 54' ' ' ALA . 3.3 p -108.91 163.12 17.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.022 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.437 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -74.98 -23.61 13.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 29' ' ' PHE . . . -69.74 -24.65 63.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.16 -22.81 17.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -66.01 -43.79 86.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -43.19 88.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 108.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 84.13 -48.67 4.09 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.1 m -42.39 -29.67 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.413 ' CD2' HG13 ' A' ' 19' ' ' VAL . 20.4 mt -76.93 98.82 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -96.15 149.09 22.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.0 mm -58.93 116.83 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.9 24.29 25.58 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.455 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 41.4 p-10 -49.58 174.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.405 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -123.96 70.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.1 p -66.69 121.24 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.428 ' SD ' ' CB ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -87.39 -20.87 26.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.59 144.75 12.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.431 HG21 ' CB ' ' A' ' 89' ' ' LEU . 46.7 mt -113.61 104.15 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 100' ' ' THR . 1.2 m-80 68.7 23.66 7.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.66 -28.02 17.24 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.519 ' CD1' ' N ' ' A' ' 76' ' ' ILE . 1.2 mp -63.15 124.62 84.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.569 0.805 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.57 2.87 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 78' ' ' THR . 14.4 t -53.48 99.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 178.12 49.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -179.75 -48.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.63 177.47 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.056 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 p -88.14 161.94 17.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.582 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -58.12 -28.88 65.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.54 -38.67 87.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -48.88 -62.87 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.45 -57.72 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -47.34 -44.9 24.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.48 ' N ' HE21 ' A' ' 88' ' ' GLN . 0.0 OUTLIER -63.93 -43.76 94.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.431 ' CB ' HG21 ' A' ' 73' ' ' ILE . 7.5 mt -49.14 -29.54 5.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.442 ' CD2' HG22 ' A' ' 99' ' ' VAL . 21.4 mt -86.53 -59.03 2.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.9 mtp85 -39.84 -57.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.5 -44.51 93.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.0 -24.77 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 t -62.26 -13.62 30.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.5 mt -66.68 -60.82 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.2 t -75.35 -5.99 47.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.97 23.01 12.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.08 141.51 25.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 29' ' ' PHE . 12.1 p -140.48 141.59 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 74' ' ' ASN . 93.3 m -114.9 127.27 55.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.8 mt -116.52 120.42 38.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 71' ' ' MET . 29.6 tt0 -84.2 104.63 14.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 104' ' ' GLU . 39.4 mm -105.54 167.3 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.428 ' CB ' ' SD ' ' A' ' 71' ' ' MET . 3.3 tt0 -146.02 128.15 15.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 8.2 p90 -127.95 176.65 7.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.153 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -93.35 143.42 26.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.497 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 73.7 t -110.08 148.91 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -78.21 139.75 38.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -104.31 159.39 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.3 m -60.28 101.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.047 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.3 m -71.82 145.8 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 52.0 mt -49.99 139.89 16.89 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.5 t -60.61 102.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.961 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.79 149.84 22.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -149.0 132.31 4.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.107 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.74 156.94 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.76 . . . . 0.0 110.007 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -137.47 81.34 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.28 9.85 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.3 p -113.61 123.85 50.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.2 p -163.23 94.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.449 1.093 . . . . 0.0 110.947 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -160.79 121.4 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -85.8 142.81 28.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.98 -163.0 1.6 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -143.55 166.86 23.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 109.96 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 p -163.45 145.16 9.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.34 55.04 0.54 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.45 150.45 38.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.28 63.77 0.24 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.561 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 4.8 mt-30 -49.37 178.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 0.0 110.349 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.561 ' CG1' ' O ' ' A' ' 10' ' ' GLN . 7.8 p 50.52 174.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 107' ' ' VAL . 8.4 p -94.12 161.49 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -98.39 164.96 12.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.566 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -130.85 143.03 50.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.374 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.471 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 24.6 mt-10 -120.25 153.74 35.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.57 150.67 27.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 t -128.64 152.22 48.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.406 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -104.25 125.24 50.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -115.12 120.97 66.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.4 p -106.57 115.24 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 64' ' ' LEU . 31.2 mt -114.02 138.99 49.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.2 m -104.06 108.87 20.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.68 97.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.464 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.84 169.56 0.21 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -74.99 -13.33 21.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.9 t -129.54 -60.41 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.561 ' O ' ' C ' ' A' ' 28' ' ' GLY . 24.4 p -99.02 69.63 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.59 -90.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 23' ' ' ALA . 26.3 m-85 -114.72 -22.44 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.08 70.42 0.7 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.43 HG12 ' CB ' ' A' ' 58' ' ' ALA . 14.9 mt -134.64 143.36 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -122.63 135.64 54.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 mt -113.52 156.85 22.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.42 159.82 23.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.45 -148.5 6.42 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.49 170.64 19.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.771 . . . . 0.0 110.052 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.3 m -88.15 -33.78 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.152 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -86.75 130.14 34.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -169.53 -172.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.0 m -116.28 -84.22 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.417 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.77 -47.51 5.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.254 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.517 ' OG1' ' N ' ' A' ' 43' ' ' LEU . 5.8 t -126.3 -136.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.517 ' N ' ' OG1' ' A' ' 42' ' ' THR . 11.4 tp -98.75 8.98 44.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.35 27.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.48 161.01 0.24 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.16 42.46 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.774 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 108.96 2.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 71.9 mt -81.73 131.99 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.1 mt -59.1 96.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -57.72 -53.21 60.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.512 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 89.6 t80 -151.12 157.73 43.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.6 mt -123.12 111.05 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.27 151.75 2.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.97 159.34 17.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.21 19.05 4.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.35 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.25 163.37 18.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.446 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -75.02 -19.51 17.72 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.803 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 29' ' ' PHE . . . -75.24 -25.84 58.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 109.239 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -93.99 -23.27 18.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -65.98 -42.8 89.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -43.55 91.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 108.256 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 84.77 -45.53 3.53 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.401 HG21 ' N ' ' A' ' 64' ' ' LEU . 15.1 m -44.22 -27.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.76 . . . . 0.0 109.297 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.457 ' CD1' HD12 ' A' ' 21' ' ' LEU . 18.9 mt -80.92 105.81 12.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -98.33 161.54 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.512 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.6 mm -72.55 119.59 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.84 39.68 13.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.431 1.082 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.455 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 4.8 t0 -77.89 -178.77 5.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 0.769 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.472 ' CZ ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -116.77 89.5 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.6 p -87.31 112.95 23.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.2 mtp -83.56 -9.97 58.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.479 ' HA ' ' CG2' ' A' ' 78' ' ' THR . . . -163.66 150.84 12.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 73' ' ' ILE . 24.3 mt -113.41 2.08 8.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 p30 170.18 43.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.04 -41.29 2.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 2.5 mt -64.5 140.36 97.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 0.731 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.0 107.84 2.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.479 ' CG2' ' HA ' ' A' ' 72' ' ' ALA . 48.6 p -74.4 75.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -178.64 52.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -156.58 -55.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -173.37 2.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.8 p -80.47 162.08 24.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -58.74 -31.98 68.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -63.22 -35.0 78.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.71 -53.87 41.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 110.353 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 73' ' ' ILE . . . -49.38 -56.37 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -51.93 -34.42 41.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.34 -38.6 74.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.1 mt -52.27 -44.69 65.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.29 -43.16 82.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -30.22 71.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.17 -47.06 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 95' ' ' ILE . 75.4 m -42.08 -41.08 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.047 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.3 t -42.25 -29.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.409 ' N ' ' C ' ' A' ' 93' ' ' SER . 17.5 mt -52.13 -68.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.9 t -71.98 -5.75 37.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.02 25.53 15.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -149.09 153.3 37.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 101' ' ' LEU . 7.5 p -145.31 152.19 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.9 m -120.56 97.32 5.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.421 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.46 ' CD1' HG23 ' A' ' 99' ' ' VAL . 2.8 mp -93.1 112.04 23.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.25 106.55 18.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 10.6 mm -98.97 163.65 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.472 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.7 tt0 -132.89 133.75 43.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.492 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.8 p90 -134.15 176.03 8.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.23 158.98 16.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 55.5 t -130.34 142.02 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.3 142.76 54.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -95.97 167.32 11.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 75.1 m -107.91 98.25 7.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.9 t -127.69 136.68 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 pt -58.89 145.34 79.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 91.01 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.3 t -73.49 -63.95 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.6 m -61.6 153.72 27.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.38 169.93 12.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 64.9 m 62.41 155.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 109.986 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 160.74 149.34 5.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.37 21.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 92.4 p -99.28 150.32 22.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.7 p -136.84 151.15 48.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.58 152.65 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 109.966 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -103.91 -56.46 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.75 148.0 39.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.448 ' OG ' ' N ' ' A' ' 6' ' ' SER . 15.7 p -91.92 -64.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.03 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.448 ' N ' ' OG ' ' A' ' 5' ' ' SER . 7.8 t -173.6 169.99 4.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.77 -55.74 3.23 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 62.49 139.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.85 103.71 0.17 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.34 133.17 35.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.249 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p -163.15 170.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 107' ' ' VAL . 9.3 p -85.57 163.05 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -112.14 163.58 14.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.611 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.28 139.42 49.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -119.72 150.82 39.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.73 148.15 25.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.454 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 t -127.18 152.45 47.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -116.84 115.73 26.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.507 ' CG1' HD23 ' A' ' 101' ' ' LEU . 3.8 p -95.7 137.91 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 p -114.37 114.42 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -117.3 133.51 55.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.1 m -98.33 107.02 19.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 110.369 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.8 98.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.45 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.8 170.81 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.01 -14.98 20.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.2 t -129.29 -61.27 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.584 ' O ' ' C ' ' A' ' 28' ' ' GLY . 22.3 p -96.76 68.73 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.445 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -20.22 -89.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.539 ' CE1' HG13 ' A' ' 99' ' ' VAL . 18.5 m-85 -108.58 -26.29 10.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.4 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 52.34 67.1 2.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.0 mt -136.55 149.18 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.6 mm100 -126.94 142.45 51.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.1 159.72 23.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -105.17 137.8 42.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -116.12 -127.41 4.1 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.2 t -147.03 159.8 43.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 0.729 . . . . 0.0 110.022 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.7 m -42.05 -56.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 39' ' ' ALA . 40.4 m-85 -133.85 6.16 3.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 38' ' ' PHE . . . 39.19 88.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.5 m -43.38 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -124.75 -43.44 2.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.345 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.2 p -135.95 -133.44 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.432 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.417 ' C ' ' N ' ' A' ' 45' ' ' SER . 26.1 tp -130.79 5.78 4.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m 39.07 31.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER 169.55 167.62 0.17 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.68 38.33 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 118.17 5.17 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.788 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 9.5 mt -91.92 147.26 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.06 95.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' GLN . 5.9 t -57.03 -57.56 12.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.509 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 58.7 t80 -144.45 157.54 44.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 33.9 mt -124.49 110.31 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.459 ' HA ' ' CE2' ' A' ' 51' ' ' TYR . 1.9 mp0 -50.24 156.09 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -90.52 167.25 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 48.23 24.7 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -104.01 165.1 14.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -20.58 16.91 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.89 -26.09 60.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -93.98 -24.56 17.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -53.91 51.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.2 m -60.49 -43.29 97.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 108.28 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.58 -5.94 59.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.1 m -69.81 -28.83 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.805 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 24.5 mt -81.56 106.23 13.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -96.62 150.29 20.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.509 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.6 mm -60.4 122.34 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.58 52.44 5.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.052 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.469 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 65.9 m-20 -85.23 -176.72 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.8 90.52 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.438 ' CG1' ' O ' ' A' ' 70' ' ' VAL . 7.6 p -82.23 107.53 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 102' ' ' GLU . 1.4 mtp -74.34 -30.22 61.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -155.83 163.56 39.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.9 mt -137.71 101.29 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 100' ' ' THR . 0.5 OUTLIER 73.47 12.55 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.37 -19.08 24.83 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 12.3 mm -65.47 130.33 94.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.551 0.794 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.2 Cg_endo -75.0 106.0 2.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.764 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 p -92.84 90.16 6.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -175.78 39.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -179.71 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.92 -176.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.974 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.2 p -103.88 150.22 24.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -45.75 -35.15 4.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.57 -36.81 76.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.5 OUTLIER -55.01 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.27 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' GLU . . . -40.33 -49.67 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -55.06 -47.35 74.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -57.59 -44.02 85.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.338 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.6 mt -47.55 -58.56 4.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.453 ' CD2' HG21 ' A' ' 99' ' ' VAL . 17.1 mt -49.54 -56.87 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -25.22 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -88.36 -47.41 8.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.6 m -51.19 -25.44 5.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.5 t -58.39 -34.0 70.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.6 mt -48.83 -71.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.4 t -64.66 -11.67 37.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.81 25.48 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.63 135.73 17.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.539 HG13 ' CE1' ' A' ' 29' ' ' PHE . 8.9 p -124.06 143.74 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 74' ' ' ASN . 1.0 OUTLIER -118.82 107.34 13.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.507 HD23 ' CG1' ' A' ' 19' ' ' VAL . 1.3 mm? -103.07 121.43 42.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 71' ' ' MET . 31.8 tt0 -92.34 106.93 18.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 15.3 mm -102.01 167.2 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -144.32 126.62 15.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.261 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 5.4 p90 -127.58 179.22 5.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.72 143.49 26.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 38.2 t -120.39 146.1 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -77.25 135.12 38.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.51 164.53 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.24 98.28 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.1 p -128.09 135.32 63.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.4 pt -55.87 109.3 1.55 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 108.62 2.76 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.88 127.04 45.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.2 m -173.87 107.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -94.69 -53.02 1.73 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.42 170.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 141.02 124.55 2.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.53 36.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.519 1.799 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.0 m -73.01 167.21 21.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.2 t -148.7 156.07 41.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.957 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.21 169.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 t 62.77 152.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.967 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.16 -157.4 7.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.435 1.085 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -160.16 169.74 22.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 109.943 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.2 p -177.1 137.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.23 -168.4 35.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.77 177.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.39 -51.11 1.26 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.421 1.076 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -50.25 136.24 20.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 0.764 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.2 p -170.12 170.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.8 p -99.06 163.25 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -110.62 164.01 13.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.592 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.09 143.31 51.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 32.5 mt-10 -115.86 152.2 33.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.41 140.27 50.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.445 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.0 t -117.56 150.81 38.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.36 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -109.14 116.46 31.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.4 ' CG1' HD12 ' A' ' 21' ' ' LEU . 5.6 t -104.35 115.64 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.1 t -104.22 99.74 9.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.442 HD11 ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -95.24 101.69 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' ASP . 2.0 m -66.7 100.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 22' ' ' THR . . . -35.03 97.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.484 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -59.85 166.36 3.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -74.98 0.67 8.61 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.7 t -142.35 -57.56 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 28' ' ' GLY . 21.1 p -104.65 70.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.413 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -25.75 -84.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.666 ' CD1' ' CG1' ' A' ' 99' ' ' VAL . 16.4 m-85 -115.64 -23.5 8.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.422 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 51.23 60.21 7.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.465 HG12 ' CB ' ' A' ' 58' ' ' ALA . 13.9 mt -129.75 145.96 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' SER . 2.1 mm100 -127.3 138.43 53.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mt -114.29 158.21 21.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -106.52 147.39 29.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.1 174.99 21.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 p -132.35 134.84 45.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.963 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.6 t -54.69 -57.96 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -75.14 92.22 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -164.33 106.04 0.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.5 m -49.95 -84.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 42' ' ' THR . 1.9 mt-10 -146.13 27.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 41' ' ' GLU . 1.6 p -160.54 117.42 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.5 mt -82.18 6.18 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 38.73 35.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 p -177.27 154.39 1.1 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.997 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.2 34.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.79 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.471 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 18.3 Cg_endo -75.02 126.88 10.25 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 mt -93.24 148.12 22.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.8 mt -69.61 98.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLN . 27.0 t -58.09 -55.63 32.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.515 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 87.0 t80 -143.58 154.79 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.1 mt -119.84 107.71 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.422 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -50.37 151.95 2.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 110.263 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.03 164.43 14.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 t70 53.59 20.92 2.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 p -104.4 166.08 12.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.489 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.03 -23.17 14.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.465 ' CB ' HG12 ' A' ' 31' ' ' ILE . . . -70.98 -25.04 62.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -96.76 -35.28 11.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -51.33 -44.19 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.6 m -61.07 -41.7 97.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.23 22.78 72.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 m -103.75 -18.28 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.9 mt -92.53 124.66 36.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -107.22 149.02 28.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.515 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.1 mm -60.57 117.6 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.39 32.23 7.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -63.66 -177.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -128.32 80.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 47' ' ' PRO . 8.9 p -67.69 115.37 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 39.0 mmm -89.4 -19.43 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -164.99 164.18 20.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.401 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 23.5 mt -137.05 106.1 4.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 74.45 5.57 4.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.23 -19.94 11.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.467 ' CD1' ' N ' ' A' ' 76' ' ' ILE . 1.8 mp -68.75 132.67 90.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 111.04 3.23 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 p -88.58 83.84 6.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 110.416 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -159.74 26.44 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 172.7 94.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 172.83 -173.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 110.008 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 p -100.49 148.8 24.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 2.1 t80 -52.49 -20.33 2.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.47 -34.36 60.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -49.66 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -47.74 -54.57 11.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -50.23 -31.51 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.38 -36.09 60.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 93' ' ' SER . 10.3 mt -55.08 -50.1 70.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.1 mt -55.48 -56.91 14.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.17 -29.92 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -84.34 -38.14 20.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' LEU . 70.8 m -56.44 -27.83 57.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.0 t -54.76 -19.38 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.961 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.2 mt -59.62 -71.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 97' ' ' SER . 9.4 t -62.03 -13.73 28.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.45 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 96' ' ' THR . 0.1 OUTLIER 78.53 25.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.028 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.8 ptmt -163.77 155.16 16.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.666 ' CG1' ' CD1' ' A' ' 29' ' ' PHE . 7.9 p -131.35 138.55 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 m -106.96 101.74 11.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -89.97 117.03 28.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -87.32 106.8 18.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.7 mm -106.68 163.27 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -145.19 122.93 11.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 3.6 p90 -121.02 175.87 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -101.63 152.0 21.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.8 t -117.62 144.72 24.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.11 114.16 20.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.62 166.37 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.0 m -90.2 107.21 18.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.986 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.0 p -145.78 153.23 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 14.3 pt -60.56 150.45 74.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 t 74.02 116.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.49 141.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.2 92.15 0.74 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 118' ' ' GLY . 10.8 p -177.97 117.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 117' ' ' SER . . . -37.56 98.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.82 20.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.9 t -62.89 101.03 0.23 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.973 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.4 p -86.53 153.18 22.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -69.29 145.07 53.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -128.63 93.98 3.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.037 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.48 -62.08 3.13 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.3 91.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.995 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -110.44 91.55 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.055 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.11 -83.35 0.35 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.09 171.87 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.01 -118.53 0.96 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.566 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER 178.98 -152.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 110.315 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.566 ' CG1' ' O ' ' A' ' 10' ' ' GLN . 7.1 p 50.72 174.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 107' ' ' VAL . 9.1 p -116.77 162.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -103.55 165.89 10.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.589 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -131.79 143.32 50.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.406 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 15.8 mt-10 -116.44 155.05 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.87 145.83 40.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 t -120.32 156.03 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -115.66 113.11 23.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.6 t -100.45 114.45 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.466 HG13 ' CG ' ' A' ' 98' ' ' LYS . 25.1 t -104.75 101.62 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 64' ' ' LEU . 25.2 mt -100.99 142.52 32.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 m -104.92 109.81 21.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.78 100.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.434 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -57.56 163.84 3.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 3.45 5.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.9 m -143.13 -60.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.551 ' O ' ' C ' ' A' ' 28' ' ' GLY . 5.2 p -103.83 69.5 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.66 -88.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CD1' HG12 ' A' ' 99' ' ' VAL . 17.7 m-85 -115.13 -27.6 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.94 56.12 10.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.2 mt -122.97 146.06 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' SER . 2.1 mt-30 -128.29 139.93 52.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.2 mt -110.27 158.33 18.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -106.07 168.83 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.81 -161.41 9.97 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -153.03 159.84 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.4 t -85.64 -54.21 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -91.14 132.08 36.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 42' ' ' THR . . . -170.2 -168.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -115.49 -88.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.388 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -84.26 -46.23 12.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 43' ' ' LEU . 6.7 t -129.05 -132.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.44 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' N ' ' OG1' ' A' ' 42' ' ' THR . 4.2 mt -90.33 23.74 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER 38.58 32.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.975 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER 173.16 163.78 0.28 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.37 35.25 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 148.3 34.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 3.5 mt -132.33 127.31 35.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 24.8 mt -41.97 104.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLN . 11.8 t -65.05 -54.62 27.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.511 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 79.2 t80 -142.27 160.43 40.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.4 mt -131.29 112.32 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.29 154.43 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.03 162.89 15.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 49.67 30.83 3.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.74 168.3 7.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -18.85 18.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.82 -27.92 44.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -96.65 -11.31 25.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -77.31 -40.36 44.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.9 p -59.66 -41.6 90.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 108.301 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.92 -2.61 63.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -87.29 -30.17 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.467 ' CD1' HD11 ' A' ' 21' ' ' LEU . 66.0 mt -80.1 97.76 6.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -93.81 149.18 21.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.511 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.7 mm -57.53 113.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.67 29.62 7.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.501 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 8.8 m-20 -54.06 -173.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.589 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -126.67 60.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.448 ' CG1' ' O ' ' A' ' 70' ' ' VAL . 8.4 p -60.11 89.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' GLU . 50.0 mmm -68.37 -30.39 69.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.448 ' HA ' ' CG2' ' A' ' 78' ' ' THR . . . -153.36 160.79 42.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.409 ' CG1' HG21 ' A' ' 70' ' ' VAL . 84.5 mt -131.66 103.3 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.72 4.56 4.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.62 -14.22 20.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.437 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 3.4 mt -71.03 140.53 85.89 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.552 0.796 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.437 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 18.3 Cg_endo -75.01 103.23 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.448 ' CG2' ' HA ' ' A' ' 72' ' ' ALA . 68.4 p -71.95 71.49 0.8 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.422 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 178.79 47.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 t0 177.34 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.517 ' C ' ' CG2' ' A' ' 82' ' ' THR . 51.1 m -72.2 -8.15 53.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.517 ' CG2' ' C ' ' A' ' 81' ' ' SER . 0.8 OUTLIER 67.03 143.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.416 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.453 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -44.4 -32.84 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.49 -39.97 61.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.483 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 0.2 OUTLIER -76.79 -54.89 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.75 -48.62 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.34 -51.85 67.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -44.73 80.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.3 mt -40.54 -36.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.412 ' C ' ' N ' ' A' ' 92' ' ' ASP . 16.3 mt -71.06 -61.26 1.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -42.58 -27.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 90' ' ' LEU . 14.3 t70 -84.6 -47.58 10.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -44.4 -29.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.33 -41.75 39.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.093 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.3 mt -44.53 -73.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.2 t -64.43 -11.07 29.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 m 65.05 25.87 12.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.466 ' CG ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -148.24 146.79 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.563 HG12 ' CD1' ' A' ' 29' ' ' PHE . 14.9 p -140.31 136.02 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.9 m -108.49 104.15 13.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.9 mt -95.22 111.18 23.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' MET . 3.3 tt0 -86.53 112.96 22.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.3 mm -110.99 167.67 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -142.31 123.66 14.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.503 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.6 p90 -121.57 179.86 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -104.6 152.73 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.411 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 21.5 t -131.24 141.65 45.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.68 153.06 44.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -101.77 160.26 14.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.56 111.53 23.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.06 123.43 53.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.5 pt -52.68 138.22 42.37 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 168.88 23.83 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.819 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.94 144.6 48.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.5 t -101.96 135.73 43.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 168.24 138.1 2.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.563 1.164 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.35 159.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 0.738 . . . . 0.0 109.999 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -153.87 100.54 0.2 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.99 21.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.566 1.824 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.3 p -151.52 134.03 15.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.02 86.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.979 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -162.59 163.14 27.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.33 147.59 44.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.029 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.37 141.51 4.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.86 113.74 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.0 p -142.34 132.49 24.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.2 168.3 3.25 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.47 115.1 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.42 -135.67 6.54 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.568 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -65.4 -160.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.568 ' CG1' ' O ' ' A' ' 10' ' ' GLN . 7.6 p 50.83 173.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.456 HG23 ' CG ' ' A' ' 109' ' ' GLU . 9.3 p -96.07 163.05 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.541 ' CE1' ' HB ' ' A' ' 107' ' ' VAL . 44.9 p-80 -102.72 165.65 10.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.69 139.6 49.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 14.5 mt-10 -110.38 156.55 20.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.85 145.35 43.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.41 ' CG2' ' HB ' ' A' ' 103' ' ' ILE . 5.0 t -119.01 153.8 34.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -115.34 113.26 23.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 t -101.56 127.0 55.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.7 t -113.89 108.68 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.485 ' CD1' HD12 ' A' ' 31' ' ' ILE . 16.3 mt -108.32 142.93 37.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' ASP . 7.5 m -105.01 108.83 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.03 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.466 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.81 170.1 0.2 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -75.0 -13.31 21.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 t -130.72 -61.49 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.555 ' O ' ' C ' ' A' ' 28' ' ' GLY . 19.9 p -97.05 69.5 2.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.18 -85.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.493 1.121 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.462 ' CE1' HG11 ' A' ' 99' ' ' VAL . 14.1 m-85 -116.09 -27.43 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.11 62.71 4.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.485 HD12 ' CD1' ' A' ' 21' ' ' LEU . 5.5 mt -131.63 145.35 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' SER . 2.7 mm100 -125.44 145.16 50.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mt -117.48 163.23 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.22 131.94 53.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.19 -136.67 2.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t -135.61 147.71 48.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 109.963 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.25 -21.79 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.47 23.72 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.3 -174.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.1 m -93.2 -73.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -111.48 -59.09 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.8 p -119.32 -133.98 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' SER . 19.9 tp -125.76 6.8 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 38.71 30.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' LEU . 51.8 p -179.43 153.3 0.69 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.985 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 147.11 33.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 150.72 39.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 12.2 mt -136.37 135.45 38.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.408 ' CD1' ' OD2' ' A' ' 68' ' ' ASP . 22.8 mt -54.7 98.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 32' ' ' GLN . 18.2 t -58.31 -57.68 11.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.508 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 85.1 t80 -137.66 159.92 40.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -128.62 109.25 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.07 149.33 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.79 159.55 19.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 t0 56.7 18.83 3.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.15 166.31 13.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.486 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.03 -22.73 14.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.771 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.471 ' HB2' ' CD1' ' A' ' 31' ' ' ILE . . . -73.32 -27.86 61.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -96.33 -12.03 25.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -60.94 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 37.2 m -60.18 -43.47 95.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.258 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.47 -22.23 17.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.4 m -48.76 -29.21 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.473 ' CD1' HD11 ' A' ' 21' ' ' LEU . 39.4 mt -86.81 99.95 12.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.461 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 4.8 mt-30 -94.26 145.57 24.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.4 mm -50.75 114.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.95 30.03 8.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.47 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 74.2 m-20 -53.02 -177.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.426 ' HD3' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -118.22 54.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.439 ' HA ' ' CD1' ' A' ' 103' ' ' ILE . 2.7 p -55.41 91.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 102' ' ' GLU . 49.4 mmm -73.73 -33.35 64.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.468 ' HA ' ' CG2' ' A' ' 78' ' ' THR . . . -147.59 178.07 8.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 97.2 mt -142.06 97.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 72.07 9.3 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.84 -12.58 20.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 7.9 mm -72.05 132.42 84.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.2 Cg_endo -74.98 100.05 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 72' ' ' ALA . 60.8 p -65.97 73.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.9 OUTLIER -171.36 -44.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.68 -47.06 87.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.3 m -79.28 -156.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.9 p -119.24 160.7 21.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -47.96 -27.48 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -69.53 -50.23 46.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.65 -60.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.41 -50.49 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -56.92 -49.77 74.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -43.05 81.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.3 mt -45.85 -52.25 11.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 93' ' ' SER . 14.7 mt -59.02 -59.13 5.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.99 -40.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -77.13 -43.59 33.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' LEU . 6.7 m -44.8 -36.81 3.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t -48.16 -27.01 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.6 mt -53.12 -73.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.6 t -65.18 -12.41 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.77 24.48 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -148.74 144.87 27.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.462 HG11 ' CE1' ' A' ' 29' ' ' PHE . 7.9 p -141.7 143.06 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.7 m -114.56 98.14 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.446 HD23 ' CG2' ' A' ' 99' ' ' VAL . 3.8 mm? -86.81 119.29 26.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' MET . 11.6 tt0 -95.41 119.0 33.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 70' ' ' VAL . 5.6 mm -115.12 167.35 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.423 ' CB ' ' HG3' ' A' ' 71' ' ' MET . 3.7 tt0 -141.7 124.52 16.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 1.2 p90 -121.14 -179.55 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -106.89 151.0 25.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.541 ' HB ' ' CE1' ' A' ' 13' ' ' HIS . 2.5 t -116.46 142.6 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.49 149.84 48.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.241 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.456 ' CG ' HG23 ' A' ' 12' ' ' VAL . 7.9 mt-10 -104.82 157.29 17.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.7 m -93.64 104.73 16.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.04 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.1 p -146.38 141.56 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.89 106.34 0.62 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 143.52 29.31 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.1 p -89.23 171.92 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.89 165.54 13.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 176.17 -89.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.5 166.17 24.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 157.94 79.4 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 164.73 32.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.548 1.815 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.8 p -143.93 119.75 10.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.3 p 41.36 90.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.539 1.15 . . . . 0.0 110.961 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.4 p -42.78 131.89 3.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 0.803 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.68 -63.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.4 106.92 0.6 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.45 139.76 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 t -90.46 81.16 5.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.51 -86.59 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.24 89.79 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.92 -135.6 5.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.33 20.14 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.5 t -133.21 154.23 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 p -91.14 163.17 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.408 ' NE2' ' HB ' ' A' ' 107' ' ' VAL . 56.3 p-80 -95.49 164.13 12.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.622 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -129.43 146.92 51.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.486 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 4.8 mt-10 -120.43 148.89 43.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.5 OUTLIER -106.96 148.84 28.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 t -136.42 141.0 43.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 100' ' ' THR . 3.9 tt0 -105.77 124.06 48.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' A' ' 101' ' ' LEU . 9.2 p -99.72 134.63 38.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.468 ' CG1' ' HE2' ' A' ' 98' ' ' LYS . 53.6 t -115.34 99.24 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 mt -101.99 139.55 37.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.7 m -102.17 109.05 20.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.373 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.07 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.45 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -50.48 167.77 0.25 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.0 -10.78 21.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.8 t -131.37 -60.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.564 ' O ' ' C ' ' A' ' 28' ' ' GLY . 9.2 p -100.68 70.27 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -21.43 -85.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.543 ' CD1' HG13 ' A' ' 99' ' ' VAL . 14.9 m-85 -113.61 -38.63 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.448 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 66.57 59.99 6.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 mt -129.43 141.58 46.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -121.19 132.19 54.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.2 mm? -99.68 157.93 16.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.457 ' HG2' ' CB ' ' A' ' 48' ' ' LEU . 2.3 pp0? -110.86 158.55 18.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.98 -104.61 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.4 m -111.04 149.56 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 109.955 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.8 t -63.6 -60.12 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -134.71 32.62 3.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 57.81 96.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.2 m -106.52 -42.15 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 174.08 -53.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.4 ' HG1' ' N ' ' A' ' 43' ' ' LEU . 69.8 p -138.23 -134.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' SER . 17.7 tp -117.88 39.06 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.4 m -67.52 67.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.451 ' CB ' ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER 174.83 175.78 0.22 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.561 1.163 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 45' ' ' SER . 18.3 Cg_endo -75.01 144.05 29.77 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.527 1.804 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 48' ' ' LEU . 18.4 Cg_endo -75.0 72.92 4.49 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.465 1.771 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CB ' ' HG2' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -39.22 136.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.481 ' CD1' ' OD2' ' A' ' 68' ' ' ASP . 10.6 mt -69.27 83.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' GLN . 30.7 t -39.78 -61.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.521 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 90.0 t80 -144.4 158.11 43.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.469 HG13 ' CG2' ' A' ' 49' ' ' ILE . 17.6 mt -121.11 109.66 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.448 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -50.04 153.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.262 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -89.51 169.3 11.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 47.3 25.02 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -107.27 164.09 15.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -21.22 15.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.528 1.804 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.8 -25.21 62.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 62' ' ' GLY . 2.1 tp10 -96.42 -39.69 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -42.22 -53.05 4.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.1 m -66.75 -34.7 78.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 59.82 22.26 56.95 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.6 m -87.65 -10.31 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.481 0.754 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mt -107.88 124.09 49.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -102.29 155.04 18.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.521 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 21.2 mm -66.43 105.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 68' ' ' ASP . . . 110.07 22.13 6.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.481 ' OD2' ' CD1' ' A' ' 49' ' ' ILE . 34.5 p-10 -51.43 -177.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.439 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -138.8 66.49 1.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 72' ' ' ALA . 8.4 p -64.45 115.68 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 102' ' ' GLU . 69.9 mmm -75.79 -24.7 55.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.433 ' O ' ' CG2' ' A' ' 70' ' ' VAL . . . -160.05 158.67 30.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 54.2 mt -126.72 111.84 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 100' ' ' THR . 1.0 OUTLIER 61.73 18.23 9.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 106.68 -16.35 40.47 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.138 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 21.1 mm -66.11 128.97 94.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.4 Cg_endo -74.93 76.04 3.49 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.769 . . . . 0.0 111.072 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.6 p -59.3 85.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.398 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' PRO . 7.7 pt-20 -179.71 53.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 171.21 -40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.9 m -59.17 -164.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.977 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 p -113.88 156.77 23.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -48.56 -24.1 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -74.0 -38.15 64.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -49.13 -67.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.95 -58.79 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -50.24 -39.21 44.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -67.52 -39.46 85.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.4 mt -52.8 -51.55 60.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 99' ' ' VAL . 15.3 mt -54.54 -64.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.66 -54.36 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.62 -56.42 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.2 m -42.45 -40.87 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 p -43.81 -29.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.9 mt -50.81 -66.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.0 t -72.67 -3.77 27.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m 64.83 24.4 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.468 ' HE2' ' CG1' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -146.68 136.24 23.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.543 HG13 ' CD1' ' A' ' 29' ' ' PHE . 8.0 p -126.97 149.83 32.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.454 ' CG2' ' HG3' ' A' ' 18' ' ' GLU . 1.1 m -124.71 130.21 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.503 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 6.3 mt -125.87 120.1 29.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.3 tt0 -89.11 105.19 17.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 16' ' ' THR . 4.5 mm -99.79 167.21 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -143.91 123.52 13.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.486 ' CD1' ' O ' ' A' ' 15' ' ' GLU . 5.2 p90 -125.64 173.86 8.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -103.11 153.22 20.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.408 ' HB ' ' NE2' ' A' ' 13' ' ' HIS . 20.7 t -111.43 137.01 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.2 127.32 32.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.417 1.073 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.48 167.76 11.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.2 m -68.37 101.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 p -124.39 165.24 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.467 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 2.7 mp -71.0 142.31 87.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.03 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.43 95.17 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.75 156.73 46.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 110.046 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -132.9 151.35 19.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 78.8 p -167.24 117.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 110.003 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -173.15 75.99 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 139.24 23.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.69 -63.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.8 t -173.19 140.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.976 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.03 108.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 110.029 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.88 136.82 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.013 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.71 179.34 25.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -144.51 122.13 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.027 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.8 113.94 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.49 -152.64 6.48 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.69 175.37 5.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.23 106.01 1.38 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.74 132.74 35.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.7 p -164.61 169.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 107' ' ' VAL . 9.3 p -79.1 162.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.42 ' NE2' HG12 ' A' ' 107' ' ' VAL . 42.7 p-80 -107.41 164.96 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.63 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -129.37 142.26 50.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' CE1' ' A' ' 105' ' ' PHE . 20.2 mt-10 -118.26 151.81 36.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.28 154.68 19.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 t -137.41 140.93 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.459 ' HG2' ' CG2' ' A' ' 100' ' ' THR . 0.7 OUTLIER -107.88 116.1 31.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.504 ' CG1' HD23 ' A' ' 101' ' ' LEU . 5.2 p -95.19 126.5 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.5 t -112.54 99.62 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.6 mt -104.56 139.79 38.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' ALA . 8.2 m -101.46 106.16 17.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' HA ' ' C ' ' A' ' 28' ' ' GLY . . . -36.98 113.57 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.424 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -59.16 158.49 18.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.14 8.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.4 t -118.77 -63.14 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.9 p -95.23 -85.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.512 ' O ' ' CG ' ' A' ' 57' ' ' PRO . . . 156.26 -101.4 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.522 ' CD1' ' CG1' ' A' ' 99' ' ' VAL . 32.4 m-85 -106.34 -18.97 13.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.71 71.34 0.6 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 mt -145.89 135.45 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' SER . 41.4 mm-40 -117.97 130.44 56.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.3 mt -102.98 156.33 17.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.68 133.54 48.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.49 -164.1 10.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.5 m -108.16 175.19 5.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 0.739 . . . . 0.0 110.023 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 35.1 m -111.62 -28.38 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 39' ' ' ALA . 9.3 m-85 -96.28 -24.54 16.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 38' ' ' PHE . . . 37.4 88.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.6 m -75.48 -64.67 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.368 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.16 -48.03 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 43' ' ' LEU . 3.5 t -141.69 -136.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.581 ' N ' ' OG1' ' A' ' 42' ' ' THR . 18.6 tp -126.32 0.46 7.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 43' ' ' LEU . 4.7 t 36.66 33.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.968 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 43' ' ' LEU . 9.2 p 179.96 155.02 0.69 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.24 42.27 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.499 1.789 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HG2' ' CG1' ' A' ' 70' ' ' VAL . 18.4 Cg_endo -74.96 96.38 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.444 1.76 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.453 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 6.1 mt -90.33 154.69 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.5 mt -73.01 105.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' GLN . 29.5 t -66.82 -53.68 30.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.518 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 92.3 t80 -149.23 157.73 43.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.1 mt -120.35 110.44 28.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.97 152.59 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.88 163.84 14.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t0 54.99 19.6 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 p -102.18 164.09 16.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.95 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.512 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -75.01 -14.8 21.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 29' ' ' PHE . . . -75.57 -29.79 59.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -92.56 -19.13 22.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -73.83 -50.42 20.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.427 ' SG ' ' CG2' ' A' ' 63' ' ' VAL . 31.9 p -60.76 -37.24 81.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 108.271 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.99 38.8 96.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.427 ' CG2' ' SG ' ' A' ' 61' ' ' CYS . 34.8 m -108.93 -22.31 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.64 137.36 34.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -114.35 152.24 31.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 5.3 mm -66.6 113.83 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.55 28.22 20.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.453 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 3.1 t0 -59.7 -160.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -142.36 94.51 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG1' ' HG2' ' A' ' 47' ' ' PRO . 9.9 p -83.67 118.46 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.419 ' N ' ' O ' ' A' ' 102' ' ' GLU . 55.0 mmm -86.81 -18.7 30.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -166.47 168.75 14.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.463 HG13 ' CG2' ' A' ' 78' ' ' THR . 54.2 mt -139.07 99.48 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 100' ' ' THR . 0.5 OUTLIER 72.64 15.13 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.88 -13.08 45.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.438 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 5.2 mt -71.9 141.73 84.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.438 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.04 117.34 4.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.463 ' CG2' HG13 ' A' ' 73' ' ' ILE . 5.4 p -81.67 70.84 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.445 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -176.17 -41.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -62.9 -51.62 66.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.4 m -77.93 -162.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.7 p -125.65 170.47 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -53.88 -27.69 31.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -68.08 -34.67 76.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -58.33 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.93 -53.64 4.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -52.45 -46.73 66.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.24 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -40.06 86.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.9 mt -50.49 -41.34 53.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 mt -63.46 -52.65 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -36.42 76.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -78.26 -21.22 50.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.3 m -85.89 -12.92 49.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 m -76.66 -21.18 55.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.8 mt -55.49 -63.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 t -69.96 -6.74 35.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.53 28.79 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.52 147.26 29.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.522 ' CG1' ' CD1' ' A' ' 29' ' ' PHE . 14.7 p -140.93 140.15 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 18' ' ' GLU . 24.4 m -121.36 112.51 18.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.399 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.504 HD23 ' CG1' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -111.4 130.13 55.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -98.0 107.99 20.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.6 mm -104.46 160.78 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -131.61 134.99 46.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.541 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.5 p90 -132.06 -179.88 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -104.41 146.9 28.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 21.4 t -109.86 144.65 17.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.69 125.79 32.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -97.0 161.78 13.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.5 m -61.03 102.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.4 t -128.74 151.43 35.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.4 pp -62.0 154.52 68.37 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.52 42.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.77 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.0 p -144.74 71.82 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.957 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 67.6 p -58.5 165.37 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.26 152.69 5.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.19 158.9 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.989 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -106.62 156.48 16.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 61.8 p -39.41 134.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 94.6 p -113.18 130.89 56.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.972 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.09 -58.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.784 . . . . 0.0 110.045 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p 46.06 84.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.989 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.07 93.99 0.1 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.3 p -136.33 124.87 23.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 0.76 . . . . 0.0 109.968 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -98.99 106.9 19.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.35 -136.17 1.99 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.414 1.071 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.05 176.76 5.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.95 98.41 0.42 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -90.52 134.73 34.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 0.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -165.6 170.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.454 ' CG2' ' HG3' ' A' ' 109' ' ' GLU . 0.3 OUTLIER -111.94 163.46 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.409 ' NE2' HG12 ' A' ' 107' ' ' VAL . 40.9 p-80 -114.36 165.03 13.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.605 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.61 139.11 53.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.0 165.48 13.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.97 147.14 39.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.433 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.406 ' HB ' ' CE1' ' A' ' 105' ' ' PHE . 7.9 t -128.07 150.06 50.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.36 122.26 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.486 ' CG1' HD13 ' A' ' 101' ' ' LEU . 8.4 p -97.49 149.02 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.488 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 7.0 p -126.07 100.49 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.7 mt -103.68 133.11 49.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.2 m -100.02 109.82 22.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.11 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.458 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -54.16 170.96 0.29 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.03 -14.29 21.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.7 t -129.72 -59.59 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.567 ' O ' ' C ' ' A' ' 28' ' ' GLY . 22.8 p -98.02 68.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.04 -87.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.554 ' CD1' HG11 ' A' ' 99' ' ' VAL . 28.4 m-85 -114.84 -26.98 7.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.759 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.69 59.8 7.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.434 HG12 ' CB ' ' A' ' 58' ' ' ALA . 13.6 mt -129.41 145.95 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 0.794 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' SER . 0.4 OUTLIER -131.38 140.17 49.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -103.45 162.45 13.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.414 ' NE2' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -112.76 144.48 42.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.57 -144.79 4.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.132 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.53 168.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 0.744 . . . . 0.0 110.008 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 38' ' ' PHE . 15.8 m -95.46 -37.56 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.411 ' N ' HG23 ' A' ' 37' ' ' VAL . 3.5 m-85 -88.6 144.6 26.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -175.72 -161.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.412 HG21 ' N ' ' A' ' 41' ' ' GLU . 1.7 m -131.27 -81.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.452 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.412 ' N ' HG21 ' A' ' 40' ' ' THR . 0.4 OUTLIER -111.6 -28.47 8.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.9 p -129.52 -133.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.451 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 44' ' ' SER . 13.3 tp -106.66 7.9 30.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.442 ' O ' ' CB ' ' A' ' 45' ' ' SER . 1.0 OUTLIER 38.63 38.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 162.89 148.43 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.998 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.92 42.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 97.64 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -81.76 138.72 35.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.6 mt -50.15 93.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLN . 16.4 t -51.65 -51.9 52.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.518 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 77.0 t80 -152.68 167.69 28.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.4 mt -134.46 106.84 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.16 152.47 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.24 165.33 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t0 51.93 22.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.01 164.93 13.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -21.22 15.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.434 ' CB ' HG12 ' A' ' 31' ' ' ILE . . . -69.5 -31.84 70.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -91.5 -22.85 20.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -56.71 -51.26 69.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.8 p -60.11 -43.16 95.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 108.316 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' VAL . . . 86.04 -42.94 3.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' GLY . 17.7 m -40.26 -37.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.1 mt -71.47 109.82 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -101.71 159.12 15.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 10.4 mm -69.14 124.17 24.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.8 45.36 21.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.493 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -76.49 -169.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.75 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -122.89 89.07 3.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.0 p -82.02 111.97 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -79.38 -29.22 42.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.18 167.01 24.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.43 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 13.4 mt -134.06 99.91 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 100' ' ' THR . 0.5 OUTLIER 73.38 23.0 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.43 -13.05 64.72 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.471 ' CG2' HD13 ' A' ' 89' ' ' LEU . 9.7 mm -73.67 134.78 78.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.3 Cg_endo -75.01 114.73 4.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.438 1.757 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 p -96.89 84.14 3.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.09 64.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 t0 173.52 -62.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -174.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.069 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.511 ' O ' ' CG ' ' A' ' 85' ' ' GLU . 4.1 p -80.46 144.01 32.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -49.81 -23.93 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -19.15 61.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 82' ' ' THR . 2.1 pp20? -61.86 -37.13 83.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.74 -51.77 17.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -50.99 -22.23 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -41.3 18.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.471 HD13 ' CG2' ' A' ' 76' ' ' ILE . 10.7 mt -52.69 -20.8 3.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.9 mt -83.04 -60.14 2.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -56.16 -18.42 10.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 91' ' ' ARG . 21.7 t0 -86.79 -37.04 18.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 95' ' ' ILE . 0.4 OUTLIER -62.07 -41.02 97.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -39.41 -31.02 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.983 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.426 ' N ' ' C ' ' A' ' 93' ' ' SER . 7.9 mt -52.53 -70.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.4 t -69.13 -9.0 50.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.352 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.75 16.49 4.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.11 150.48 44.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.554 HG11 ' CD1' ' A' ' 29' ' ' PHE . 8.0 p -141.24 138.82 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 74' ' ' ASN . 1.1 m -112.98 129.33 56.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.431 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.486 HD13 ' CG1' ' A' ' 19' ' ' VAL . 1.5 mt -127.65 129.55 47.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.93 109.08 21.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.8 mm -104.42 162.47 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.431 ' O ' ' NH1' ' A' ' 69' ' ' ARG . 2.3 tt0 -124.75 136.23 53.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.52 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.1 p90 -139.34 178.18 7.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -94.99 150.28 20.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.409 HG12 ' NE2' ' A' ' 13' ' ' HIS . 45.3 t -117.55 146.05 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.19 137.67 51.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -115.22 166.78 11.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 70.5 m -85.6 100.69 12.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.5 p -160.86 134.32 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 4.4 tt -54.64 135.15 63.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.98 -50.24 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.21 166.01 32.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.43 92.92 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.033 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 60.56 110.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.1 t -167.29 -58.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 0.755 . . . . 0.0 109.972 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 122.21 161.35 11.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 115.95 4.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.463 1.77 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.4 t -144.06 91.79 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.31 133.63 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 p -131.94 -58.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.9 p -116.38 167.67 10.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.52 -92.88 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 t -160.17 -59.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 58.04 94.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.95 -105.87 3.03 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.49 168.98 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.53 133.24 8.02 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.569 1.168 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -94.47 24.99 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 110.313 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 10' ' ' GLN . 3.5 t -38.6 146.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.245 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 107' ' ' VAL . 9.8 p -118.91 163.29 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -109.11 166.62 10.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.595 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.87 138.98 47.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.76 -173.98 2.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.9 OUTLIER -137.41 149.23 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 t -122.23 157.57 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -110.1 116.49 31.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.415 HG11 ' CG2' ' A' ' 63' ' ' VAL . 6.0 t -102.76 136.42 35.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.2 t -123.02 113.77 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' CD1' HD12 ' A' ' 31' ' ' ILE . 15.6 mt -114.98 134.73 54.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 m -98.46 108.66 21.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.44 99.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.47 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -51.53 170.98 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.01 -14.03 21.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 t -131.26 -61.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.554 ' O ' ' C ' ' A' ' 28' ' ' GLY . 20.4 p -95.59 68.49 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.9 -90.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CD1' HG11 ' A' ' 99' ' ' VAL . 23.5 m-85 -115.17 -21.13 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.786 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 40.2 69.38 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.472 HD12 ' CD1' ' A' ' 21' ' ' LEU . 4.0 mt -130.79 145.73 35.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 0.741 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.1 mm100 -128.48 145.45 51.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' CD1' ' HB1' ' A' ' 86' ' ' ALA . 5.3 mt -117.0 164.86 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.7 162.51 17.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.07 -157.11 8.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.28 155.2 41.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 0.766 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.39 -56.63 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -145.4 174.0 11.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -176.36 -163.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.5 m -60.62 -75.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.429 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.91 -72.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.537 ' OG1' ' N ' ' A' ' 43' ' ' LEU . 2.9 t -107.68 -125.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.537 ' N ' ' OG1' ' A' ' 42' ' ' THR . 8.7 mt -84.42 10.96 9.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER 37.29 33.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER 172.02 166.83 0.24 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.982 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 144.11 29.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.455 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -74.97 96.48 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 3.2 mt -76.01 123.6 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 67' ' ' GLY . 22.2 mt -41.06 106.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 32' ' ' GLN . 3.1 t -64.62 -53.69 43.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.508 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 84.4 t80 -142.61 160.92 39.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.422 ' CG1' HG23 ' A' ' 49' ' ' ILE . 32.6 mt -130.8 111.34 20.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.21 149.16 3.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.13 161.24 19.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t70 53.75 21.17 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.0 165.55 13.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.495 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -74.98 -24.66 12.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.65 -28.12 65.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -96.75 -34.37 11.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -43.27 -59.16 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 58.2 m -60.67 -43.4 97.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 108.281 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.85 -15.33 43.4 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.415 ' CG2' HG11 ' A' ' 19' ' ' VAL . 27.5 m -51.11 -42.22 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.563 0.802 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.432 ' CD1' HD13 ' A' ' 21' ' ' LEU . 15.7 mt -76.76 105.07 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.65 145.49 24.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 5.3 mm -52.65 108.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 98.73 30.04 7.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.506 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -56.18 -177.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.603 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -120.02 69.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 70' ' ' VAL . 6.8 p -65.91 96.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -70.68 -32.54 69.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.481 ' O ' ' CG1' ' A' ' 73' ' ' ILE . . . -149.26 -169.82 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.481 ' CG1' ' O ' ' A' ' 72' ' ' ALA . 20.1 mt -155.84 98.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.88 11.88 4.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.93 -3.3 31.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.7 mm -83.79 131.84 50.63 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 106.49 2.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.793 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 p -82.33 60.81 5.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -153.65 40.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -169.43 -45.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -173.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.7 p -106.9 162.35 13.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.426 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.502 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.8 t80 -54.96 -21.48 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -76.35 -39.6 53.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.76 -66.35 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.402 ' HB1' ' CD1' ' A' ' 33' ' ' LEU . . . -40.83 -41.51 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.87 -54.41 39.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.55 -42.61 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.462 ' CB ' HG22 ' A' ' 73' ' ' ILE . 10.0 mt -47.22 -41.96 19.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.31 -45.45 76.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -29.12 67.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -79.76 -56.58 4.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.6 m -42.7 -33.28 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 m -49.07 -35.41 15.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.415 HD13 ' N ' ' A' ' 95' ' ' ILE . 1.8 mp -53.13 -65.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.3 t -69.42 -9.14 52.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.349 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.72 31.39 16.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -154.81 145.64 22.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 29' ' ' PHE . 14.1 p -142.15 147.19 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.415 ' N ' HG22 ' A' ' 99' ' ' VAL . 17.0 m -117.02 97.66 6.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.412 ' CD2' HG23 ' A' ' 70' ' ' VAL . 40.0 mt -91.35 120.12 31.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.85 115.35 27.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 16' ' ' THR . 4.8 mm -109.07 167.57 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -141.18 126.9 19.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.249 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.552 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.1 p90 -124.96 -179.82 4.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -91.81 152.13 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.489 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 3.2 t -128.25 151.64 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.35 143.66 34.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.12 168.28 9.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.23 97.43 10.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.6 p -171.15 138.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.1 mp -82.31 127.01 72.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.44 4.59 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 58.4 m 55.2 91.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.27 165.23 17.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -129.6 -171.64 12.99 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 69.1 p -148.04 129.48 14.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.785 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -101.69 154.26 18.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 171.44 18.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.0 p -174.16 93.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 81.3 p -96.5 159.55 14.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -146.41 101.86 3.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 p -99.49 113.57 26.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.6 60.06 0.66 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.7 p -105.11 93.4 4.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 110.029 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -105.43 100.46 10.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.17 -140.24 8.23 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.34 -60.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.24 -59.5 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -72.81 129.05 37.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 0.806 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -168.46 169.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.6 p -88.75 163.23 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -99.42 166.19 11.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -128.06 156.89 42.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.357 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 47.8 mt-10 -129.26 149.9 50.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.48 144.49 36.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 110.398 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -130.18 142.85 50.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.353 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -104.54 119.61 39.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.413 HG12 ' CD1' ' A' ' 64' ' ' LEU . 4.8 t -95.02 130.97 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.4 t -124.49 100.58 7.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.37 121.35 42.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 23' ' ' ALA . 5.6 m -81.6 103.84 11.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 22' ' ' THR . . . -34.72 97.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.471 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -61.64 165.04 8.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -74.95 4.7 4.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.5 m -144.34 -59.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.594 ' O ' ' C ' ' A' ' 28' ' ' GLY . 22.1 p -105.68 70.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.594 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -19.94 -91.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CD1' HG13 ' A' ' 99' ' ' VAL . 21.3 m-85 -106.66 -22.24 12.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 53.11 68.28 1.7 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.475 HG12 ' CB ' ' A' ' 58' ' ' ALA . 8.3 mt -145.45 142.37 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.6 mt-30 -123.06 141.07 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 86' ' ' ALA . 49.3 mt -105.35 167.06 9.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -138.45 170.22 16.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.81 -150.04 9.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.1 p -135.92 156.27 49.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 110.037 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.28 -55.9 20.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.479 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 3.2 p90 -130.13 171.31 12.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 171.16 -175.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 m -38.67 -78.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.381 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -121.77 -66.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.6 p -100.23 -132.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 45' ' ' SER . 12.3 mt -87.76 11.98 14.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' LEU . 12.2 m 39.01 32.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.038 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER 175.39 164.55 0.4 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.09 34.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 101.42 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.437 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -79.72 167.14 21.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.422 HG23 ' CG1' ' A' ' 52' ' ' ILE . 52.9 mt -80.26 103.18 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.8 t -59.22 -55.13 38.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.522 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 81.8 t80 -150.62 155.82 40.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.422 ' CG1' HG23 ' A' ' 49' ' ' ILE . 34.9 mt -123.57 108.18 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.35 158.38 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.65 162.09 13.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t0 55.97 19.53 3.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.96 167.69 10.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.954 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -25.71 11.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.475 ' CB ' HG12 ' A' ' 31' ' ' ILE . . . -70.29 -24.2 62.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -97.04 -30.9 12.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -55.22 -56.76 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.3 p -57.34 -32.5 66.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.287 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.06 41.11 76.68 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.2 m -111.46 -3.11 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.413 ' CD1' HG12 ' A' ' 19' ' ' VAL . 3.2 mt -108.34 156.98 18.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -133.95 149.56 51.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.522 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 7.4 mm -64.76 114.4 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.98 25.56 31.48 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.437 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 4.0 t0 -57.53 -169.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.406 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -131.99 94.98 3.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.8 p -86.16 118.21 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 49.2 mmm -84.54 -16.92 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -169.57 160.27 8.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.7 mt -129.36 97.88 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.79 24.59 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.42 -11.4 61.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.406 ' CG2' HD11 ' A' ' 89' ' ' LEU . 11.2 mm -69.8 129.95 90.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.4 Cg_endo -74.99 91.67 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -66.38 73.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -176.72 35.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.5 36.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.482 ' HB3' ' CB ' ' A' ' 85' ' ' GLU . 6.1 m -142.54 -164.51 1.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.7 p -121.93 152.96 39.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -37.07 -39.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.7 mt-10 -62.16 -55.03 32.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 0.5 OUTLIER -37.27 -71.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.441 ' HB3' ' CD1' ' A' ' 33' ' ' LEU . . . -43.3 -45.75 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -58.94 -51.36 70.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -47.41 71.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.406 HD11 ' CG2' ' A' ' 76' ' ' ILE . 17.6 mt -40.81 -45.68 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.451 ' CD2' HG21 ' A' ' 99' ' ' VAL . 14.9 mt -60.8 -71.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' LEU . 3.7 mtp180 -36.84 -45.52 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -57.09 14.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 95' ' ' ILE . 18.9 m -42.64 -45.44 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.961 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 91' ' ' ARG . 7.7 p -39.53 -29.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.044 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' SER . 28.7 mt -52.16 -70.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.0 t -65.29 -10.1 29.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.57 25.83 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.93 125.04 10.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.573 HG13 ' CD1' ' A' ' 29' ' ' PHE . 14.9 p -114.46 143.47 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.2 m -120.07 121.43 38.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.4 mt -122.0 125.09 45.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -92.61 109.44 20.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.435 ' CG2' ' OD1' ' A' ' 68' ' ' ASP . 4.5 mm -108.86 164.67 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -142.59 125.53 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 4.1 p90 -126.5 177.25 6.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -106.16 157.48 17.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.63 145.46 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.81 143.51 41.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -84.99 138.24 32.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.1 m -60.64 97.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.1 t -128.44 154.69 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 1.3 mt -53.41 139.3 48.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 112' ' ' ILE . 18.3 Cg_endo -74.96 159.78 41.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.12 75.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.1 m -41.42 157.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.22 -166.82 18.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 95.0 p -46.15 120.25 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.766 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.9 -149.6 6.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 139.08 23.92 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.5 p -129.22 141.2 51.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.6 t -149.94 -58.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.006 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -75.14 140.94 43.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -105.0 108.58 20.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.28 165.25 35.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -155.44 132.84 11.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 0.754 . . . . 0.0 109.984 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -70.7 119.29 14.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.95 121.08 2.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.58 1.175 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.28 -61.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.82 82.34 1.66 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -83.98 120.81 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 m -76.43 167.77 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 107' ' ' VAL . 2.1 p -77.17 164.0 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.522 ' CE1' HG23 ' A' ' 107' ' ' VAL . 57.0 p-80 -126.2 167.14 15.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.603 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.96 133.78 55.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 43.7 mt-10 -118.25 142.87 47.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -100.54 137.2 39.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.407 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 t -112.66 141.61 46.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.64 126.12 41.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.0 t -113.1 123.65 68.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.459 ' CG1' ' HE2' ' A' ' 98' ' ' LYS . 61.9 t -105.51 115.25 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.408 HD11 ' CD1' ' A' ' 101' ' ' LEU . 6.7 mt -116.33 140.1 49.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.2 m -102.56 107.77 18.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.458 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.06 98.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.457 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -55.16 164.88 1.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.3 21.47 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.5 t -123.8 -57.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.545 ' O ' ' C ' ' A' ' 28' ' ' GLY . 13.0 p -108.9 73.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.24 -86.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.447 ' CE1' HG12 ' A' ' 99' ' ' VAL . 23.7 m-85 -114.71 -21.06 10.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 50.63 58.77 8.68 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.475 HG12 ' CB ' ' A' ' 58' ' ' ALA . 13.5 mt -127.59 142.62 43.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.2 mm-40 -126.93 127.41 44.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.406 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 2.0 mm? -92.95 158.11 15.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.91 121.81 45.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.567 ' HA3' ' CD2' ' A' ' 83' ' ' PHE . . . -116.25 -155.72 10.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.91 159.03 37.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 110.009 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.9 m -80.86 -37.95 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -101.36 142.73 32.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -173.11 176.57 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.6 m -104.55 -80.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.439 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -115.66 -33.43 5.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.1 p -126.34 -134.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.329 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' A' ' 45' ' ' SER . 26.6 tp -116.38 5.59 13.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER 38.65 32.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 43' ' ' LEU . 1.2 p 178.77 153.96 0.54 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 110.028 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.4 35.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.977 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 2.1 mt -86.06 137.06 32.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.1 mt -50.67 93.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' GLN . 43.4 t -59.92 -58.47 8.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.511 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 72.6 t80 -143.57 151.53 40.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.8 mt -119.62 108.91 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.464 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 1.6 mp0 -50.23 156.22 0.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.54 168.49 13.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 t0 45.66 26.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 p -105.64 162.44 19.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.964 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -18.28 18.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 111.041 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.475 ' CB ' HG12 ' A' ' 31' ' ' ILE . . . -78.21 -24.01 47.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -93.08 -20.94 20.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -45.48 72.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.358 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -42.84 82.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 108.298 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.442 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 83.88 -48.69 4.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.9 m -42.42 -28.42 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.442 ' N ' ' C ' ' A' ' 62' ' ' GLY . 21.4 mt -76.4 98.44 4.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.435 ' N ' ' OD2' ' A' ' 68' ' ' ASP . 40.8 tt0 -95.77 157.37 15.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.511 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.0 mm -69.15 124.87 25.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.9 55.36 4.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.467 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 72.0 m-20 -96.13 -179.04 4.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.434 ' CZ ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -116.16 89.07 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 72' ' ' ALA . 10.9 p -87.1 119.79 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 102' ' ' GLU . 1.8 mmt -84.31 -27.66 27.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.454 ' O ' ' CG2' ' A' ' 70' ' ' VAL . . . -145.6 160.62 41.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 73' ' ' ILE . 7.2 mt -122.46 -0.08 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 2.7 p30 167.6 42.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.65 -40.32 2.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.8 mm -65.03 136.03 96.6 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 109.339 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 92.0 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.791 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.44 ' CG2' ' HA ' ' A' ' 72' ' ' ALA . 67.4 p -51.76 94.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.431 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -174.33 34.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 81' ' ' SER . 2.3 t70 -169.28 175.18 5.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 80' ' ' ASP . 0.9 OUTLIER 78.98 -151.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.2 p -117.19 157.84 25.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.567 ' CD2' ' HA3' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -51.46 -28.67 13.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.82 -34.57 73.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -50.2 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -43.12 -42.03 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.76 -42.83 76.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 85' ' ' GLU . 84.8 mm-40 -62.32 -31.42 72.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.24 -41.03 75.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.364 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.3 mt -63.62 -54.9 28.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -52.33 -20.96 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.88 -50.76 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -47.49 -26.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 p -57.06 -20.95 27.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.8 mt -58.34 -65.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.1 t -74.4 -7.75 53.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.31 22.39 10.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.459 ' HE2' ' CG1' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -147.05 143.25 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.447 HG12 ' CE1' ' A' ' 29' ' ' PHE . 12.8 p -134.14 146.87 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -113.38 100.78 8.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.454 ' CD2' HG12 ' A' ' 73' ' ' ILE . 48.7 mt -99.09 115.83 29.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' MET . 0.6 OUTLIER -96.06 108.52 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.441 ' CG2' ' N ' ' A' ' 104' ' ' GLU . 36.3 mm -98.0 163.47 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' N ' ' CG2' ' A' ' 103' ' ' ILE . 4.4 tt0 -132.86 146.79 52.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 15' ' ' GLU . 38.2 p90 -146.37 -179.65 6.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.23 115.32 30.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.526 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 2.6 m -70.75 155.74 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.08 141.91 30.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.87 168.24 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -66.91 105.09 1.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.0 t 64.28 126.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 9.0 pt -60.52 113.8 8.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 85.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.4 -60.81 1.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.028 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.61 107.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 171.12 159.17 16.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.2 t -54.41 -59.47 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 78.7 97.12 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 161.7 38.32 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.48 -58.73 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.3 t 44.86 91.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.78 149.54 9.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t 65.98 150.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.96 -154.28 9.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 m -75.57 168.55 19.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -108.08 169.38 8.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 -159.11 10.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.42 -52.01 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.61 117.62 2.75 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.561 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -50.36 -179.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.561 ' CG1' ' O ' ' A' ' 10' ' ' GLN . 7.9 p 50.51 173.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 p -98.68 161.86 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -109.84 162.88 14.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.57 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.72 141.51 51.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 3.1 mt-10 -112.2 156.7 21.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.7 139.17 52.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.419 ' CG2' ' HB ' ' A' ' 103' ' ' ILE . 2.1 t -112.31 162.27 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.416 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.74 111.9 16.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.471 HG21 ' CD2' ' A' ' 64' ' ' LEU . 5.0 t -95.17 131.61 41.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.6 t -120.71 99.35 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.454 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -98.8 121.65 41.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 24' ' ' ASP . 2.8 m -83.73 102.21 12.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.443 ' CB ' ' HA ' ' A' ' 97' ' ' SER . . . -36.88 97.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.498 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -65.01 161.33 48.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.2 Cg_endo -75.08 0.53 8.82 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.453 1.764 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.9 t -129.2 -61.2 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.565 ' O ' ' C ' ' A' ' 28' ' ' GLY . 82.4 p -116.19 76.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.565 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -20.8 -90.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CD1' HG11 ' A' ' 99' ' ' VAL . 14.1 m-85 -111.42 -20.54 12.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.61 64.77 3.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.454 HG12 ' CB ' ' A' ' 58' ' ' ALA . 4.7 mt -136.87 147.13 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 50' ' ' SER . 7.4 mm-40 -134.83 136.0 42.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.478 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.1 mm? -98.59 154.54 17.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.37 144.26 39.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.74 -157.01 29.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.11 -176.75 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.4 m -101.51 -33.76 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -98.13 139.43 33.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -174.43 179.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.8 m -83.08 -86.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -95.22 -57.26 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.348 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' A' ' 43' ' ' LEU . 6.7 t -127.43 -137.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.519 ' N ' ' OG1' ' A' ' 42' ' ' THR . 16.0 tp -94.61 9.75 37.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 45' ' ' SER . 3.5 p 46.46 35.36 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.9 p 162.43 160.98 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 147.86 34.64 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 0.0 111.022 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 158.11 42.25 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.539 1.81 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 2.9 mt -140.07 137.72 34.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.448 ' CG2' ' CG1' ' A' ' 52' ' ' ILE . 65.0 mt -52.61 92.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLN . 11.6 t -53.96 -58.58 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.938 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.508 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 76.3 t80 -138.83 157.5 45.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.448 ' CG1' ' CG2' ' A' ' 49' ' ' ILE . 48.9 mt -127.81 107.63 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.89 151.67 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.79 166.02 16.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 t70 48.59 30.49 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -110.83 164.36 15.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.427 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -75.05 -19.15 18.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.454 ' CB ' HG12 ' A' ' 31' ' ' ILE . . . -73.56 -25.27 60.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -97.0 -25.26 15.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -61.78 -38.98 90.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -43.01 86.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 108.279 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.73 6.28 84.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.1 m -102.49 -16.17 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 19' ' ' VAL . 27.7 mt -90.2 104.72 17.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 66' ' ' ILE . 10.2 tp60 -100.46 148.62 24.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.2 mm -58.66 113.12 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.82 26.62 7.04 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.128 . . . . 0.0 111.062 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.499 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 2.9 m-20 -53.47 -173.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.586 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -125.82 61.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.9 p -58.86 87.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 102' ' ' GLU . 49.7 mmm -66.08 -34.04 77.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.469 ' HA ' ' CG2' ' A' ' 78' ' ' THR . . . -147.88 -179.72 7.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.418 HG13 ' CG2' ' A' ' 78' ' ' THR . 69.7 mt -148.88 102.77 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 0.5 OUTLIER 74.6 11.06 3.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 109.244 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.89 -10.18 37.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.3 mm -79.2 132.56 62.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.2 Cg_endo -75.03 100.6 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 72' ' ' ALA . 50.5 p -62.12 79.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 77' ' ' PRO . 7.5 tt0 -172.31 -36.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.45 41.98 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.88 -171.24 2.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.0 p -101.22 153.86 19.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -48.22 -32.98 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.54 -40.26 84.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -43.5 -62.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' LEU . . . -42.4 -61.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -46.22 -36.37 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -71.92 -36.21 69.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' ALA . 14.6 mt -58.07 -21.47 45.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.7 mt -80.85 -51.22 8.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -58.35 -15.77 11.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -89.63 -54.04 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.55 -38.07 19.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.041 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.1 m -43.68 -31.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.958 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.8 mt -54.68 -64.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.2 t -70.36 -5.64 29.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.398 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.443 ' HA ' ' CB ' ' A' ' 23' ' ' ALA . 1.9 m 58.92 33.24 22.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.31 121.25 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.572 HG11 ' CD1' ' A' ' 29' ' ' PHE . 7.4 p -113.45 147.27 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.6 m -122.14 103.78 9.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.402 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.42 HD12 ' CD1' ' A' ' 31' ' ' ILE . 47.8 mt -98.89 118.77 36.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' MET . 2.4 tt0 -92.17 107.21 19.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.419 ' HB ' ' CG2' ' A' ' 17' ' ' THR . 3.9 mm -102.23 167.05 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -141.4 122.29 14.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 15' ' ' GLU . 1.8 p90 -123.39 177.73 5.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -104.71 160.12 15.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.0 t -123.57 146.33 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.4 146.1 41.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -120.05 169.0 10.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.7 m -110.71 112.22 23.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.3 p -167.56 147.01 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.467 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 4.9 mp -121.97 142.17 35.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.3 Cg_endo -74.96 176.7 9.56 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.78 155.22 44.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 41.7 t -97.61 128.1 44.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -83.51 -150.86 10.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.8 p -70.6 129.11 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 167.78 -168.47 40.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 57.1 4.5 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.801 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 87.3 p -138.26 121.2 16.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.959 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.6 m 53.35 89.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -174.18 165.5 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.84 -59.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.74 96.12 0.48 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.8 85.86 6.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.743 . . . . 0.0 109.979 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -174.96 165.21 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.36 -57.86 2.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.46 -70.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.4 105.21 1.56 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -93.6 129.5 39.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 0.798 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -162.52 170.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 107' ' ' VAL . 9.8 p -85.25 162.79 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -112.81 165.7 12.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.601 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.32 136.12 47.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -117.32 148.15 41.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.254 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -102.12 143.8 31.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t -117.87 142.6 47.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.364 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -109.15 115.19 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.524 ' CG1' HD21 ' A' ' 101' ' ' LEU . 0.8 OUTLIER -104.07 151.56 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.37 103.71 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.473 ' CD1' HD13 ' A' ' 31' ' ' ILE . 23.7 mt -100.75 125.12 47.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' ALA . 4.9 m -93.63 107.12 19.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.449 ' HA ' ' C ' ' A' ' 28' ' ' GLY . . . -37.59 104.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.449 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -43.81 162.74 0.19 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 10.59 1.67 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.534 ' CG2' ' H ' ' A' ' 27' ' ' THR . 2.6 m -140.8 -82.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.534 ' H ' ' CG2' ' A' ' 26' ' ' VAL . 39.7 p -63.56 -72.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 57' ' ' PRO . . . 136.24 -95.1 0.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.49 ' CE1' HG13 ' A' ' 99' ' ' VAL . 28.2 m-85 -111.61 -23.56 10.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.428 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 49.59 71.04 0.67 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 21' ' ' LEU . 6.3 mt -144.62 143.26 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.73 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.5 mt-30 -126.34 145.34 50.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 86' ' ' ALA . 13.9 mt -107.2 157.4 17.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -114.74 171.66 7.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -122.0 170.64 15.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.82 119.14 32.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 p -48.68 -52.24 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.41 153.78 20.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.96 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -176.39 -162.42 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -130.0 -71.44 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.44 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -108.62 -40.5 5.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.496 ' OG1' ' N ' ' A' ' 43' ' ' LEU . 7.3 t -123.48 -135.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.496 ' N ' ' OG1' ' A' ' 42' ' ' THR . 9.2 mt -90.11 16.09 9.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER 39.1 31.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 110.04 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.426 ' N ' ' C ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER 167.96 168.9 0.12 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 154.4 42.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 111.4 3.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.48 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 0.7 OUTLIER -82.98 141.03 32.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.472 ' CD1' ' OD2' ' A' ' 68' ' ' ASP . 34.4 mt -60.68 104.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLN . 6.4 t -65.72 -55.38 17.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 83.3 t80 -142.77 152.19 42.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 66' ' ' ILE . 18.3 mt -118.14 108.18 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -49.79 149.5 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -82.29 171.17 14.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 43.35 28.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 54' ' ' ALA . 2.9 p -109.24 163.95 15.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.522 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.0 -17.72 19.3 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 29' ' ' PHE . . . -74.59 -35.41 63.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -83.49 -22.18 32.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -68.91 -47.33 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -41.89 78.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 108.281 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 82.1 -49.62 4.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -40.71 -31.9 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' A' ' 62' ' ' GLY . 16.0 mt -73.79 105.28 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -105.68 144.74 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 22.4 mm -58.52 125.02 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.35 30.55 16.09 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.48 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 38.4 p-10 -72.19 178.02 4.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.441 ' CZ ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -122.93 75.47 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p -72.9 115.51 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.0 mtp -84.56 -21.05 30.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.84 154.21 33.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.45 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 30.0 mt -119.87 -2.94 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.6 p30 170.0 42.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.91 -34.89 4.3 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.0 mm -63.22 139.31 97.54 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 93.37 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.1 p -68.05 72.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -178.65 61.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -177.98 -39.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m -78.62 -169.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 85' ' ' GLU . 7.4 p -106.93 153.0 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.9 t80 -38.47 -35.17 0.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -50.22 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -48.16 -60.77 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.46 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . . . -54.2 -54.74 35.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.411 ' ND2' ' CZ ' ' A' ' 83' ' ' PHE . 1.9 t-20 -48.35 -38.88 20.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 91' ' ' ARG . 2.3 tp-100 -65.06 -43.44 92.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.2 mt -43.23 -44.62 5.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.54 -40.17 77.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' GLN . 4.5 mtp180 -61.63 -33.19 73.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.324 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -86.95 -46.04 10.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.6 m -43.85 -37.51 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.96 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.7 p -44.62 -30.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.7 mt -59.64 -67.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.6 t -72.14 -5.28 34.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.359 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m 49.9 33.09 6.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.27 133.11 15.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.49 HG13 ' CE1' ' A' ' 29' ' ' PHE . 10.4 p -134.54 150.53 30.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.418 ' N ' HG23 ' A' ' 99' ' ' VAL . 6.3 m -116.59 106.5 13.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.524 HD21 ' CG1' ' A' ' 19' ' ' VAL . 1.3 mm? -98.99 115.3 28.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.93 106.17 18.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 16' ' ' THR . 4.3 mm -101.31 158.35 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.6 tt0 -134.24 127.0 30.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.467 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 4.9 p90 -128.61 179.38 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -96.34 143.38 27.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.479 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 12.1 t -112.63 146.09 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.51 146.41 42.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -119.95 167.65 11.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.7 m -78.92 103.23 8.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.4 p -152.38 135.7 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.1 pp -57.17 109.67 1.9 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.96 5.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.3 -54.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.027 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.8 p -39.97 128.04 2.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -153.09 179.2 29.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.19 164.8 34.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.36 104.44 0.08 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 115.49 4.3 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.479 1.778 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.7 m -140.35 159.73 41.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 t -178.44 157.93 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.964 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -172.37 157.8 4.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 0.748 . . . . 0.0 110.045 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m 62.32 168.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 110.037 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.18 -125.27 4.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.43 170.53 11.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.22 169.98 21.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.46 132.09 3.5 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.51 139.2 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.335 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.68 111.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -98.07 126.46 43.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 0.787 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.6 p -160.7 168.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 107' ' ' VAL . 10.0 p -96.31 162.69 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -108.48 166.2 10.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.635 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 p -120.52 150.3 41.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.382 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -119.27 -177.86 3.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.19 139.42 47.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.43 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.0 t -124.76 141.13 52.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' OE2' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -95.58 120.5 35.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.1 t -99.27 117.1 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.408 ' CG2' ' OE2' ' A' ' 18' ' ' GLU . 42.5 t -105.83 104.52 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.467 ' CD1' HD13 ' A' ' 31' ' ' ILE . 15.3 mt -107.98 137.81 45.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.8 m -101.01 108.24 19.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' THR . . . -39.83 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.473 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -52.64 170.64 0.24 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.2 Cg_endo -75.03 -13.17 21.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.5 t -131.04 -61.87 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.574 ' O ' ' C ' ' A' ' 28' ' ' GLY . 29.5 p -97.07 69.88 2.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.362 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.574 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -21.8 -78.61 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.575 1.172 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CE2' HD12 ' A' ' 90' ' ' LEU . 19.5 m-30 -115.97 -28.44 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 56.03 59.34 10.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.467 HD13 ' CD1' ' A' ' 21' ' ' LEU . 10.1 mt -133.69 144.21 36.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.779 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.5 mm-40 -126.1 131.1 52.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -92.76 155.43 17.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.05 146.53 37.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -116.4 -157.55 11.08 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.462 1.101 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -157.71 169.13 25.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.738 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.9 m -99.68 -37.63 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -96.02 135.63 37.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -174.89 -165.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 m -130.06 -70.03 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.409 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -106.64 -40.66 5.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.7 p -123.63 -134.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.2 mt -93.44 12.55 24.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 40.54 30.94 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.977 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.33 160.57 0.96 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 151.83 40.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 98.36 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -81.36 145.39 30.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 64' ' ' LEU . 12.1 mt -60.52 95.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLN . 9.7 t -54.98 -53.49 55.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.972 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.524 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 86.2 t80 -148.24 156.72 42.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.5 mt -118.46 104.46 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.81 152.6 1.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.66 161.34 14.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.79 17.7 4.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.39 169.8 6.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -18.96 18.51 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.512 ' O ' ' CD2' ' A' ' 64' ' ' LEU . . . -72.04 -22.61 61.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.42 -30.86 15.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -52.32 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.415 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 11.7 p -58.6 -25.48 62.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 108.286 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 38.64 52.53 2.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.474 ' CG2' HD12 ' A' ' 64' ' ' LEU . 22.8 m -119.65 -6.49 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -97.33 137.95 35.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -111.37 141.36 45.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.524 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 11.0 mm -53.98 106.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 95.48 36.9 5.22 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.498 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 1.2 t0 -57.76 -160.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.502 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -137.74 55.06 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.476 ' CG1' HG21 ' A' ' 78' ' ' THR . 1.4 t -40.84 110.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.7 mmm -79.71 -22.18 43.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -175.04 161.47 2.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 14.6 mt -126.51 104.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.449 ' ND2' ' OG ' ' A' ' 93' ' ' SER . 0.9 OUTLIER 66.64 16.29 10.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.23 -21.49 19.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.9 mm -62.45 130.31 93.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.4 Cg_endo -75.0 93.85 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.511 1.795 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.476 HG21 ' CG1' ' A' ' 70' ' ' VAL . 1.7 p -62.59 78.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 77' ' ' PRO . 20.1 tt0 -177.63 38.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.8 t0 178.88 59.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.426 ' HB3' ' CB ' ' A' ' 85' ' ' GLU . 14.5 m -164.24 -166.72 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.03 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.415 ' C ' ' N ' ' A' ' 84' ' ' GLU . 6.2 p -117.34 150.48 38.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.367 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.435 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 8.1 t80 -42.14 -26.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.05 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 82' ' ' THR . 7.2 mt-10 -75.96 -51.76 11.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 26.6 mm-40 -38.81 -66.65 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -44.03 -61.46 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 83' ' ' PHE . 13.5 m-20 -44.49 -41.55 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.78 -44.09 86.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.8 mt -50.16 -35.26 25.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.592 HD12 ' CE2' ' A' ' 29' ' ' PHE . 4.4 mm? -70.65 -58.44 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -46.27 -48.73 17.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -60.43 3.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.449 ' OG ' ' ND2' ' A' ' 74' ' ' ASN . 44.8 m -44.45 -37.36 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.5 t -46.83 -24.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.0 mt -54.87 -60.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.8 t -74.54 -1.89 23.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.49 33.1 22.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.21 134.01 10.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.567 HG12 ' CE1' ' A' ' 29' ' ' PHE . 11.6 p -135.46 145.61 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 m -115.47 97.3 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.379 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.63 115.79 28.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -82.92 119.72 24.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 8.9 mm -114.23 164.0 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.482 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.8 tt0 -132.05 127.36 35.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.492 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 3.1 p90 -132.86 178.12 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.0 156.83 16.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.415 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 98.2 t -126.52 143.64 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.15 131.7 48.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -114.05 168.27 9.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.7 t -96.08 98.89 10.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.961 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.4 p -159.97 129.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.3 pt -56.23 139.29 73.08 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -177.78 3.7 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 64.5 p -104.02 167.29 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.8 m -124.69 111.08 15.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.022 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 137.76 68.13 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.27 114.76 4.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 0.0 109.978 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -132.29 72.73 0.48 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.06 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 169.47 22.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.38 91.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.7 t 52.33 95.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.989 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m -100.43 150.54 22.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.971 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -96.37 151.66 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.035 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.45 99.26 0.22 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -124.12 160.79 27.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.8 166.69 13.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.22 122.62 5.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.75 168.9 23.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.2 96.68 0.12 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.118 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.569 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 21.8 pt20 -48.7 176.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.756 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.569 ' CG1' ' O ' ' A' ' 10' ' ' GLN . 9.9 p 50.4 172.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 107' ' ' VAL . 4.1 p -78.28 163.41 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.564 ' CD2' HG21 ' A' ' 107' ' ' VAL . 18.2 p-80 -123.51 166.31 15.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.59 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.38 135.08 54.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.435 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 14.1 mt-10 -118.5 145.09 45.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.01 139.98 37.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -114.7 146.4 40.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.84 123.08 47.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 t -112.0 107.74 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 3.2 p -90.24 105.8 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.3 mt -105.76 134.42 48.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.4 m -100.33 109.66 21.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.81 98.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.466 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -50.2 170.6 0.16 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.01 -14.75 21.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.528 1.804 . . . . 0.0 111.051 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.2 t -129.35 -62.42 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.562 ' O ' ' C ' ' A' ' 28' ' ' GLY . 33.8 p -96.26 69.66 2.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.09 -89.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.53 ' CD2' HD22 ' A' ' 90' ' ' LEU . 23.9 m-85 -112.0 -24.14 10.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.77 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 49.45 66.84 2.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 111.052 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.3 mt -133.99 145.44 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -128.24 134.44 48.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -101.77 165.3 11.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.01 139.38 53.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -118.34 -148.39 8.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.62 167.05 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.8 m -80.32 -24.66 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.411 ' O ' ' CB ' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -122.96 -179.63 4.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 38' ' ' PHE . . . 168.6 -179.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.8 m -125.91 -72.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.443 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -113.53 -29.01 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.518 ' OG1' ' N ' ' A' ' 43' ' ' LEU . 4.3 t -149.09 -132.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.518 ' N ' ' OG1' ' A' ' 42' ' ' THR . 19.7 tp -105.4 6.93 32.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER 37.83 34.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 170.93 169.85 0.2 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 148.23 35.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.0 74.3 4.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' PRO . 0.8 OUTLIER -38.73 138.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.6 mt -65.5 94.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.0 t -52.37 -58.61 6.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.519 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 89.9 t80 -148.13 158.46 44.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 111.038 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.9 mt -123.02 109.87 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.431 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -51.05 149.83 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.38 169.98 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.5 t0 45.02 28.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.25 164.96 13.61 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.44 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.04 -18.99 18.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.407 1.741 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.32 -43.26 64.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -75.46 -27.88 59.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -60.54 -46.4 90.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -42.98 82.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.252 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 82.35 -48.44 3.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.1 m -41.55 -30.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' A' ' 62' ' ' GLY . 13.1 mt -74.41 107.52 6.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -102.19 154.37 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 6.0 mm -69.67 119.06 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.408 ' CA ' HD21 ' A' ' 48' ' ' LEU . . . 85.79 38.34 8.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -177.82 6.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -120.43 98.27 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 72' ' ' ALA . 9.7 p -96.63 123.2 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.402 ' O ' ' OG1' ' A' ' 78' ' ' THR . 5.6 mtp -86.95 -22.89 25.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.481 ' O ' ' CG2' ' A' ' 70' ' ' VAL . . . -151.85 156.43 40.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' A' ' 73' ' ' ILE . 16.0 mt -119.41 1.62 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.9 p30 169.51 43.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.57 -33.75 4.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.409 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 19.6 mm -66.21 139.96 96.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.75 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.2 Cg_endo -74.97 98.67 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.515 1.798 . . . . 0.0 111.02 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.438 ' CG2' ' HA ' ' A' ' 72' ' ' ALA . 33.1 p -59.17 84.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.395 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.2 OUTLIER 179.16 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.69 -25.12 65.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.0 m -97.45 -164.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.4 p -114.65 165.39 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.432 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -52.83 -26.88 15.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.92 -45.5 64.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.3 -53.15 30.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.333 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' A' ' 73' ' ' ILE . . . -41.04 -59.41 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -53.46 -44.15 68.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -45.41 94.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.6 mt -42.13 -50.92 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.53 HD22 ' CD2' ' A' ' 29' ' ' PHE . 20.2 mt -57.86 -62.17 2.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -39.5 -39.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.472 ' O ' ' CD1' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -78.57 -49.73 12.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -46.37 -26.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t -54.45 -39.61 67.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 1.8 mp -44.75 -73.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 t -62.03 -16.17 49.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.31 29.6 7.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.4 143.19 22.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.473 HG23 ' CD1' ' A' ' 101' ' ' LEU . 11.7 p -139.59 150.9 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.3 m -116.91 97.6 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.376 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.473 ' CD1' HG23 ' A' ' 99' ' ' VAL . 3.1 mp -92.26 110.6 22.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.33 104.29 16.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.6 mm -99.48 160.59 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -134.22 145.99 49.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 15' ' ' GLU . 34.8 p90 -143.83 -179.23 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.58 116.23 31.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.179 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.564 HG21 ' CD2' ' A' ' 13' ' ' HIS . 2.9 m -70.68 155.19 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -87.24 153.84 21.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.35 158.47 23.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 37.4 m -74.97 104.99 5.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.966 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.8 t -86.35 142.3 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.344 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 4.3 mt -55.89 135.79 72.95 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.02 110.95 3.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.03 83.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.34 113.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -43.52 127.96 5.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.3 m -53.67 145.76 14.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 131.21 87.99 0.44 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -42.57 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.1 p 40.75 80.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.4 t -105.79 113.66 27.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.959 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 p -128.24 144.05 51.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.47 177.43 4.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -130.8 140.83 50.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.441 HG22 ' HB ' ' A' ' 103' ' ' ILE . 15.2 t -125.92 141.61 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.5 122.33 40.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.866 HG11 HD11 ' A' ' 64' ' ' LEU . 8.3 t -95.6 120.51 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 20' ' ' VAL . 6.1 p -107.07 104.82 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.816 ' CD1' HD11 ' A' ' 31' ' ' ILE . 31.4 mt -109.4 132.36 54.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.6 m -98.95 110.38 23.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.27 99.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.45 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -57.69 164.2 3.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.0 2.89 6.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.627 HG23 ' H ' ' A' ' 27' ' ' THR . 5.0 m -141.66 -60.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.627 ' H ' HG23 ' A' ' 26' ' ' VAL . 10.5 p -103.8 69.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.395 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.7 -89.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -113.58 -28.42 7.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 44.86 65.01 1.94 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.816 HD11 ' CD1' ' A' ' 21' ' ' LEU . 19.2 mt -126.08 142.64 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 50' ' ' SER . 5.1 mm-40 -123.71 140.44 52.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.49 159.28 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.478 ' CD ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.789 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.069 -0.397 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.478 HD12 ' CD ' ' A' ' 34' ' ' GLN . 1.4 mt -97.87 148.09 23.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.915 HD12 ' OD2' ' A' ' 68' ' ' ASP . 21.6 mt -64.43 99.55 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.0 t -60.47 -56.44 21.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.511 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 76.9 t80 -146.36 154.82 42.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.683 HD11 HG21 ' A' ' 49' ' ' ILE . 19.3 mt -126.79 111.05 24.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.99 153.31 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.02 157.81 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 61.22 15.14 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.31 170.43 6.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.4 Cg_endo -75.01 -27.43 10.01 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.406 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . . . -69.3 -26.2 64.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 62' ' ' GLY . 6.1 tp10 -96.45 -41.0 8.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.31 -47.46 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 80.2 m -62.69 -40.86 98.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 108.27 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 70.79 4.94 55.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.143 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.6 m -85.02 -12.46 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.866 HD11 HG11 ' A' ' 19' ' ' VAL . 5.5 mt -98.5 104.47 16.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -86.74 159.15 19.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.34 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.511 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 4.7 mm -74.14 114.32 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.06 35.83 6.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.432 1.083 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.915 ' OD2' HD12 ' A' ' 49' ' ' ILE . 83.9 m-20 -64.41 -176.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.471 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -126.68 82.61 2.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.789 HG12 ' O ' ' A' ' 47' ' ' PRO . 9.6 p -73.29 117.63 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 56.0 mmm -89.29 -11.88 42.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 76' ' ' ILE . . . -175.97 161.57 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.6 mt -129.04 99.57 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.48 26.23 6.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.17 -22.19 37.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.58 HG21 HD11 ' A' ' 89' ' ' LEU . 18.1 mm -61.4 125.88 85.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.2 Cg_endo -75.03 95.9 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -61.04 84.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.442 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -171.71 47.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 t0 172.88 176.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.0 m 70.9 -163.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.1 p -112.35 154.92 24.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -44.34 -30.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.66 -44.31 94.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.33 -60.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.93 -47.19 74.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -55.71 -41.08 73.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -42.72 99.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.346 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.58 HD11 HG21 ' A' ' 76' ' ' ILE . 13.6 mt -45.44 -56.38 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.848 ' CD2' HG21 ' A' ' 99' ' ' VAL . 16.2 mt -49.84 -67.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 94' ' ' SER . 15.7 mtt180 -37.59 -59.48 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.558 ' OD1' HD12 ' A' ' 95' ' ' ILE . 11.3 t0 -50.99 -50.1 59.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.402 ' CB ' ' HB ' ' A' ' 99' ' ' VAL . 6.0 m -44.49 -32.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 91' ' ' ARG . 16.3 m -51.91 -32.55 33.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.034 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.558 HD12 ' OD1' ' A' ' 92' ' ' ASP . 13.5 mt -51.8 -65.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.2 t -69.65 -6.74 33.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.14 27.69 15.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.974 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -155.08 130.98 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.848 HG21 ' CD2' ' A' ' 90' ' ' LEU . 12.1 p -125.21 140.43 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 m -111.56 123.87 51.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.402 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.468 HD21 HD21 ' A' ' 90' ' ' LEU . 36.3 mt -118.93 119.65 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -85.7 106.18 16.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.441 ' HB ' HG22 ' A' ' 17' ' ' THR . 4.0 mm -101.25 163.12 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.2 tt0 -136.27 123.74 22.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.506 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.1 p90 -130.46 175.97 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -129.0 155.34 45.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.457 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -131.43 148.92 52.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.9 OUTLIER -105.96 154.15 20.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 t -140.09 146.16 38.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.403 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.496 ' CD ' HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -101.32 119.51 38.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.347 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.4 t -99.61 117.05 44.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.496 HG23 ' CD ' ' A' ' 18' ' ' GLU . 39.8 t -101.4 117.6 46.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.52 HD13 HD11 ' A' ' 31' ' ' ILE . 22.1 mt -119.07 131.04 55.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -98.94 110.88 23.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -45.05 100.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.445 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -57.08 163.78 2.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 2.5 6.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.607 HG23 ' H ' ' A' ' 27' ' ' THR . 4.9 m -141.4 -60.03 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.607 ' H ' HG23 ' A' ' 26' ' ' VAL . 8.3 p -104.32 69.63 0.93 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.63 -87.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 13.5 m-85 -116.67 -29.86 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.83 68.95 1.11 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.52 HD11 HD13 ' A' ' 21' ' ' LEU . 24.2 mt -134.99 141.66 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.753 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.565 ' C ' HD22 ' A' ' 33' ' ' LEU . 3.9 mm-40 -125.06 142.57 51.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.686 HD22 ' N ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -103.23 163.32 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.683 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 110.955 -0.44 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -89.62 147.77 23.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.762 HG21 HD11 ' A' ' 52' ' ' ILE . 30.5 mt -61.95 105.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' GLN . 12.5 t -65.79 -54.51 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.602 ' HA ' HD12 ' A' ' 66' ' ' ILE . 93.4 t80 -142.58 161.53 37.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.762 HD11 HG21 ' A' ' 49' ' ' ILE . 27.2 mt -135.41 106.56 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -49.99 153.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.53 163.66 15.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.2 t0 54.14 20.24 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.21 166.29 12.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.047 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -74.97 -19.38 17.97 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.532 1.806 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -74.5 -27.96 60.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' GLY . 5.9 tp10 -96.84 -41.4 8.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.414 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -43.39 -56.4 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.556 ' HB2' HG22 ' A' ' 63' ' ' VAL . 13.2 m -59.96 -33.02 71.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.273 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 61.56 16.53 50.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.556 HG22 ' HB2' ' A' ' 61' ' ' CYS . 28.4 m -90.48 0.76 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.467 HD11 HD11 ' A' ' 21' ' ' LEU . 2.1 mt -119.51 112.49 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -93.56 152.49 19.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' A' ' 51' ' ' TYR . 19.3 mm -65.62 101.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.04 32.31 3.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 34.0 p-10 -56.33 -168.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.41 53.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 47' ' ' PRO . 4.3 p -42.65 117.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.5 mmm -93.69 -16.83 23.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.608 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -175.72 157.44 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.568 HG12 HD23 ' A' ' 101' ' ' LEU . 94.9 mt -124.53 90.13 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.1 m-20 82.4 13.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.56 -26.7 9.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.618 HG23 ' HD2' ' A' ' 77' ' ' PRO . 4.1 mt -60.54 139.53 92.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.618 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.5 Cg_endo -74.93 112.19 3.5 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.608 HG23 ' HA ' ' A' ' 72' ' ' ALA . 3.0 p -79.48 67.81 5.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.336 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 178.13 38.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -166.83 58.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -179.86 -171.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 p -98.94 152.25 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -47.32 -27.9 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLN . 48.0 mt-10 -67.06 -43.98 81.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.78 -67.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.68 -55.85 12.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -53.32 -21.43 5.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -88.24 -35.54 17.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.454 HD11 HD12 ' A' ' 76' ' ' ILE . 16.0 mt -58.51 -16.85 17.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.804 HD23 HG21 ' A' ' 99' ' ' VAL . 18.8 mt -81.92 -55.01 4.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 92' ' ' ASP . 2.1 ptt180 -53.13 -20.37 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 91' ' ' ARG . 1.6 t0 -80.64 -65.02 1.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.689 ' OG ' HG23 ' A' ' 99' ' ' VAL . 10.3 m -39.44 -38.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.4 t -41.86 -29.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.401 ' N ' ' C ' ' A' ' 93' ' ' SER . 12.9 mt -56.38 -67.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 t -69.41 -6.42 29.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.18 25.46 8.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -151.28 132.17 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.804 HG21 HD23 ' A' ' 90' ' ' LEU . 9.9 p -126.97 144.24 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.3 m -110.1 143.22 40.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.568 HD23 HG12 ' A' ' 73' ' ' ILE . 39.2 mt -135.65 114.85 12.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -82.78 117.36 22.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 104' ' ' GLU . 11.8 mm -115.37 162.9 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.427 ' N ' HG22 ' A' ' 103' ' ' ILE . 5.2 tt0 -143.64 122.84 12.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 6.3 p90 -121.86 179.74 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.7 p30 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.13 139.55 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 19.3 mt-10 -112.57 157.08 21.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -116.34 149.63 38.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.41 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.482 HG22 ' HB ' ' A' ' 103' ' ' ILE . 5.2 t -123.97 153.36 41.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.368 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -112.6 115.71 29.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.619 HG11 HD21 ' A' ' 64' ' ' LEU . 5.5 t -107.27 115.22 48.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 20' ' ' VAL . 4.8 p -102.21 118.9 49.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.806 HD11 ' CD1' ' A' ' 64' ' ' LEU . 48.2 mt -115.9 141.32 48.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.6 m -107.67 109.29 20.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.79 99.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.449 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -58.44 164.01 4.28 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -75.01 2.95 6.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.631 HG23 ' H ' ' A' ' 27' ' ' THR . 5.7 m -140.61 -60.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.631 ' H ' HG23 ' A' ' 26' ' ' VAL . 34.4 p -104.6 69.38 0.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.446 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.83 -87.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.096 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -114.9 -30.64 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.999 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.61 66.67 2.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.648 HD11 ' CD1' ' A' ' 21' ' ' LEU . 14.6 mt -134.54 142.37 40.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 50' ' ' SER . 5.3 mp0 -126.95 141.53 51.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 mt -111.96 160.91 16.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.709 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.787 HD23 ' O ' ' A' ' 68' ' ' ASP . 1.2 mt -74.04 130.52 39.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.962 HD12 ' OD2' ' A' ' 68' ' ' ASP . 41.3 mt -51.02 112.26 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.8 t -67.83 -52.78 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 86.5 t80 -141.4 158.43 43.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.491 ' CG1' HG21 ' A' ' 49' ' ' ILE . 71.0 mt -128.21 111.56 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.46 151.12 2.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.36 163.63 18.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 t0 49.48 23.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 p -102.05 163.91 16.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.498 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.93 -16.15 20.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.428 1.752 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.492 ' HA ' HD12 ' A' ' 64' ' ' LEU . . . -77.04 -28.26 54.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -97.23 -27.65 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.435 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 3.2 mtt180 -54.05 -53.15 57.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.3 m -60.46 -43.89 96.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.288 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.31 -19.9 24.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.9 m -57.55 -38.25 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.806 ' CD1' HD11 ' A' ' 21' ' ' LEU . 32.1 mt -78.05 98.79 5.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 66' ' ' ILE . 20.9 tp60 -92.96 146.92 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.2 mm -51.92 113.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 93.08 35.92 6.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.962 ' OD2' HD12 ' A' ' 49' ' ' ILE . 39.8 m-20 -59.38 -175.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.481 ' HD3' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -120.88 55.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.834 ' HA ' HD13 ' A' ' 103' ' ' ILE . 9.8 p -58.48 90.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 102' ' ' GLU . 69.5 mmm -70.08 -28.42 65.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.816 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -152.9 164.32 38.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.648 HG13 HG21 ' A' ' 78' ' ' THR . 92.1 mt -131.89 104.16 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.35 7.86 6.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.08 -15.18 21.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 77' ' ' PRO . 4.3 mt -72.28 141.09 83.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.453 0.737 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.0 119.28 5.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.816 HG23 ' HA ' ' A' ' 72' ' ' ALA . 82.5 p -95.75 62.05 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -172.85 64.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.5 t0 176.66 -44.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -170.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 p -96.8 155.85 16.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -51.48 -30.33 19.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -66.81 -34.97 78.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.21 -68.37 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.66 -48.52 2.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -55.51 -52.26 64.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -46.68 68.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.535 HD22 HD12 ' A' ' 76' ' ' ILE . 24.7 mt -40.22 -49.45 2.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.585 ' CD2' HG21 ' A' ' 99' ' ' VAL . 14.3 mt -61.63 -59.58 4.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -34.66 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.87 -48.11 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.1 -37.27 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.047 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.37 -28.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 96' ' ' THR . 15.8 mt -54.7 -72.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.473 ' N ' HG22 ' A' ' 95' ' ' ILE . 13.1 t -67.99 -8.13 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.22 27.19 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.059 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.21 147.97 29.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.585 HG21 ' CD2' ' A' ' 90' ' ' LEU . 8.5 p -148.53 139.36 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.6 m -111.33 105.87 14.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 110.448 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.566 HD12 HG21 ' A' ' 70' ' ' VAL . 2.9 mm? -92.37 114.22 26.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 71' ' ' MET . 6.3 tt0 -90.79 114.95 27.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.834 HD13 ' HA ' ' A' ' 70' ' ' VAL . 3.8 mm -109.82 167.37 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.455 ' N ' HG22 ' A' ' 103' ' ' ILE . 3.9 tt0 -141.19 124.42 16.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 1.2 p90 -121.17 -179.6 4.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.78 141.34 50.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -121.26 158.87 27.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.4 OUTLIER -109.23 147.47 32.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 t -124.75 157.16 36.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.717 ' HG3' HG23 ' A' ' 100' ' ' THR . 21.2 tt0 -107.73 119.15 38.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.461 HG11 HD21 ' A' ' 64' ' ' LEU . 8.2 t -96.06 118.63 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 20' ' ' VAL . 5.7 p -105.02 120.46 55.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.457 HD22 ' O ' ' A' ' 57' ' ' PRO . 21.2 mt -128.14 135.84 50.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.0 m -98.62 111.15 23.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.67 98.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.446 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.41 169.77 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.6 Cg_endo -74.95 -13.87 21.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.551 HG12 HG23 ' A' ' 27' ' ' THR . 16.7 t -129.82 -61.36 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 28' ' ' GLY . 17.4 p -97.84 69.5 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.575 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -19.59 -90.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -105.74 -24.45 12.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.53 65.61 3.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 58' ' ' ALA . 20.8 mt -138.2 145.71 28.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.5 mm100 -121.54 146.51 46.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mt -115.98 164.45 14.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 1.9 mt -94.39 138.89 31.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.458 ' CD1' ' OD2' ' A' ' 68' ' ' ASP . 32.1 mt -53.87 109.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 32' ' ' GLN . 7.4 t -72.14 -50.39 28.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.519 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 62.3 t80 -149.49 149.77 31.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.6 mt -113.64 107.59 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' HA ' ' CE2' ' A' ' 51' ' ' TYR . 1.8 mp0 -51.05 158.73 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.22 163.36 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.1 t0 53.6 20.68 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 p -101.09 161.24 24.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.457 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.1 Cg_endo -75.06 -18.59 18.47 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.477 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -74.25 -23.98 59.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -94.85 -31.68 13.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.94 -47.82 79.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.419 ' HB3' HG22 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -58.95 -42.55 90.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.276 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.41 30.33 77.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.419 HG22 ' HB3' ' A' ' 61' ' ' CYS . 15.5 m -108.09 -6.18 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 58' ' ' ALA . 1.4 mt -106.77 134.87 49.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -114.79 148.83 37.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 13.0 mm -59.45 110.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 95.99 25.21 13.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.483 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 44.2 p-10 -52.34 -179.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.27 77.89 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.655 HG21 HG12 ' A' ' 73' ' ' ILE . 10.8 p -70.82 112.69 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.05 -26.68 53.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.61 155.9 29.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.662 HG13 HG21 ' A' ' 78' ' ' THR . 16.2 mt -129.21 103.84 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.39 10.93 4.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.95 -17.9 29.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 5.8 mm -65.07 135.72 96.43 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.3 Cg_endo -75.01 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.444 1.76 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.662 HG21 HG13 ' A' ' 73' ' ' ILE . 18.3 p -87.83 93.67 9.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 176.83 39.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.89 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -177.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.6 p -98.11 149.83 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.447 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -46.92 -32.35 3.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -63.31 -39.17 93.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.506 ' OE1' HD21 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -54.79 -66.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.42 -46.27 2.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.43 -58.83 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.37 -46.91 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.506 HD21 ' OE1' ' A' ' 85' ' ' GLU . 16.3 mt -42.12 -59.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.639 ' CD2' HG21 ' A' ' 99' ' ' VAL . 13.6 mt -46.63 -65.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -40.04 -52.23 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -57.6 -53.62 56.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 m -48.08 -30.98 4.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 p -55.29 -20.08 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.011 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.8 mt -63.12 -67.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.466 HG23 ' H ' ' A' ' 98' ' ' LYS . 5.0 t -65.42 -11.33 41.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.16 23.43 5.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.466 ' H ' HG23 ' A' ' 96' ' ' THR . 0.1 OUTLIER -149.97 132.15 15.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.639 HG21 ' CD2' ' A' ' 90' ' ' LEU . 11.4 p -122.08 144.84 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.717 HG23 ' HG3' ' A' ' 18' ' ' GLU . 1.2 m -120.14 103.54 9.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.1 mt -98.8 121.12 40.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -88.27 103.83 16.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.525 HG22 ' N ' ' A' ' 104' ' ' GLU . 21.9 mm -100.43 167.18 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.525 ' N ' HG22 ' A' ' 103' ' ' ILE . 4.3 tt0 -134.57 135.75 42.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.547 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.3 p90 -134.68 178.68 6.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.68 142.76 51.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.395 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -125.83 153.11 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.6 OUTLIER -103.88 158.58 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.425 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 t -137.06 165.86 25.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -115.13 116.13 27.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.668 HG11 HD21 ' A' ' 64' ' ' LEU . 6.3 t -99.53 109.88 25.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 20' ' ' VAL . 3.9 p -99.25 118.43 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.545 HD11 HD11 ' A' ' 64' ' ' LEU . 22.6 mt -118.6 132.12 56.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.1 m -95.25 105.6 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.372 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -41.23 98.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.467 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -51.43 170.22 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -74.99 -13.58 21.38 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.779 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.514 HG12 HG23 ' A' ' 27' ' ' THR . 16.7 t -130.53 -60.96 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.544 ' O ' ' C ' ' A' ' 28' ' ' GLY . 23.1 p -96.95 68.88 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -24.29 -86.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.45 1.093 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 14.7 m-85 -115.8 -27.77 6.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.88 68.25 1.57 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.1 mt -134.97 143.46 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.64 136.38 53.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.727 HD12 ' HB2' ' A' ' 47' ' ' PRO . 1.1 mm? -97.64 159.92 14.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.727 ' HB2' HD12 ' A' ' 33' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.853 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 11.8 mt -77.43 129.81 36.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.432 HD12 ' OD2' ' A' ' 68' ' ' ASP . 7.8 mt -49.73 117.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -46.03 23.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.506 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 84.3 t80 -151.2 156.99 42.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.89 107.84 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.92 153.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -88.08 169.53 11.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 45.78 26.19 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 54' ' ' ALA . 3.3 p -108.91 163.12 17.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.022 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.437 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -74.98 -23.61 13.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.515 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -69.74 -24.65 63.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.16 -22.81 17.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 3.0 mtt180 -66.01 -43.79 86.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -43.19 88.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 108.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 84.13 -48.67 4.09 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.1 m -42.39 -29.67 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.668 HD21 HG11 ' A' ' 19' ' ' VAL . 20.4 mt -76.93 98.82 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -96.15 149.09 22.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.0 mm -58.93 116.83 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.9 24.29 25.58 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.455 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 41.4 p-10 -49.58 174.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.405 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -123.96 70.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.646 ' HA ' HD13 ' A' ' 103' ' ' ILE . 14.1 p -66.69 121.24 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.428 ' SD ' ' CB ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -87.39 -20.87 26.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 76' ' ' ILE . . . -161.59 144.75 12.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.428 ' HB ' HD12 ' A' ' 89' ' ' LEU . 46.7 mt -113.61 104.15 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.482 ' ND2' HG23 ' A' ' 99' ' ' VAL . 1.2 m-80 68.7 23.66 7.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.66 -28.02 17.24 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.519 ' CD1' ' N ' ' A' ' 76' ' ' ILE . 1.2 mp -63.15 124.62 84.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.569 0.805 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.57 2.87 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 78' ' ' THR . 14.4 t -53.48 99.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 178.12 49.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -179.75 -48.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.63 177.47 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.056 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 p -88.14 161.94 17.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.582 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -58.12 -28.88 65.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.54 -38.67 87.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -48.88 -62.87 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.45 -57.72 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -47.34 -44.9 24.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 85' ' ' GLU . 0.4 OUTLIER -63.93 -43.76 94.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.428 HD12 ' HB ' ' A' ' 73' ' ' ILE . 7.5 mt -49.14 -29.54 5.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.949 ' CD2' HG21 ' A' ' 99' ' ' VAL . 21.4 mt -86.53 -59.03 2.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.9 mtp85 -39.84 -57.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.5 -44.51 93.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.0 -24.77 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 t -62.26 -13.62 30.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.5 mt -66.68 -60.82 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 98' ' ' LYS . 10.2 t -75.35 -5.99 47.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.97 23.01 12.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.415 ' H ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -148.08 141.51 25.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.949 HG21 ' CD2' ' A' ' 90' ' ' LEU . 12.1 p -140.48 141.59 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 74' ' ' ASN . 93.3 m -114.9 127.27 55.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.8 mt -116.52 120.42 38.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 29.6 tt0 -84.2 104.63 14.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.646 HD13 ' HA ' ' A' ' 70' ' ' VAL . 39.4 mm -105.54 167.3 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.533 ' N ' HG22 ' A' ' 103' ' ' ILE . 3.3 tt0 -146.02 128.15 15.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 8.2 p90 -127.95 176.65 7.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.153 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -130.85 143.03 50.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.374 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.471 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 24.6 mt-10 -120.25 153.74 35.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -108.57 150.67 27.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 t -128.64 152.22 48.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.406 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -104.25 125.24 50.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.69 HG11 HD21 ' A' ' 64' ' ' LEU . 4.1 t -115.12 120.97 66.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 20' ' ' VAL . 6.4 p -106.57 115.24 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.652 HD11 HD11 ' A' ' 64' ' ' LEU . 31.2 mt -114.02 138.99 49.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.2 m -104.06 108.87 20.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.68 97.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.464 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.84 169.56 0.21 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -74.99 -13.33 21.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.549 HG12 HG23 ' A' ' 27' ' ' THR . 17.9 t -129.54 -60.41 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.561 ' O ' ' C ' ' A' ' 28' ' ' GLY . 24.4 p -99.02 69.63 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.59 -90.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 26.3 m-85 -114.72 -22.44 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.08 70.42 0.7 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.429 ' CD1' HD21 ' A' ' 101' ' ' LEU . 14.9 mt -134.64 143.36 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -122.63 135.64 54.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.484 HD13 ' HB1' ' A' ' 86' ' ' ALA . 2.3 mt -113.52 156.85 22.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.447 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 68' ' ' ASP . 71.9 mt -81.73 131.99 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.1 mt -59.1 96.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -57.72 -53.21 60.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.515 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 89.6 t80 -151.12 157.73 43.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.448 HG22 ' HB2' ' A' ' 59' ' ' GLU . 35.6 mt -123.12 111.05 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.27 151.75 2.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.97 159.34 17.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.21 19.05 4.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.35 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.25 163.37 18.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.502 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.2 Cg_endo -75.02 -19.51 17.72 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.803 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.617 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -75.24 -25.84 58.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 109.239 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.448 ' HB2' HG22 ' A' ' 52' ' ' ILE . 5.8 tp10 -93.99 -23.27 18.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -65.98 -42.8 89.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.408 ' HB3' HG22 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -59.1 -43.55 91.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 108.256 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.401 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 84.77 -45.53 3.53 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.408 HG22 ' HB3' ' A' ' 61' ' ' CYS . 15.1 m -44.22 -27.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.76 . . . . 0.0 109.297 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.69 HD21 HG11 ' A' ' 19' ' ' VAL . 18.9 mt -80.92 105.81 12.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -98.33 161.54 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.515 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.6 mm -72.55 119.59 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.84 39.68 13.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.431 1.082 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.752 ' O ' HD23 ' A' ' 48' ' ' LEU . 4.8 t0 -77.89 -178.77 5.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 0.769 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.472 ' CZ ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -116.77 89.5 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.617 HG22 ' O ' ' A' ' 72' ' ' ALA . 8.6 p -87.31 112.95 23.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.2 mtp -83.56 -9.97 58.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.915 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -163.66 150.84 12.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 73' ' ' ILE . 24.3 mt -113.41 2.08 8.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 p30 170.18 43.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.04 -41.29 2.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 2.5 mt -64.5 140.36 97.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 0.731 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.0 107.84 2.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.915 HG23 ' HA ' ' A' ' 72' ' ' ALA . 48.6 p -74.4 75.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -178.64 52.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -156.58 -55.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -173.37 2.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.8 p -80.47 162.08 24.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -58.74 -31.98 68.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -63.22 -35.0 78.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.71 -53.87 41.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 110.353 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.484 ' HB1' HD13 ' A' ' 33' ' ' LEU . . . -49.38 -56.37 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -51.93 -34.42 41.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -70.34 -38.6 74.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.1 mt -52.27 -44.69 65.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.29 -43.16 82.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -30.22 71.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.17 -47.06 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 95' ' ' ILE . 75.4 m -42.08 -41.08 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.047 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.3 t -42.25 -29.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.409 ' N ' ' C ' ' A' ' 93' ' ' SER . 17.5 mt -52.13 -68.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.9 t -71.98 -5.75 37.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.02 25.53 15.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -149.09 153.3 37.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.582 HG22 ' CD1' ' A' ' 101' ' ' LEU . 7.5 p -145.31 152.19 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.9 m -120.56 97.32 5.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.421 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.582 ' CD1' HG22 ' A' ' 99' ' ' VAL . 2.8 mp -93.1 112.04 23.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 1.8 tt0 -90.25 106.55 18.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 104' ' ' GLU . 10.6 mm -98.97 163.65 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.472 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.7 tt0 -132.89 133.75 43.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.492 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.8 p90 -134.15 176.03 8.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.28 139.42 49.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -119.72 150.82 39.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -102.73 148.15 25.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.454 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 t -127.18 152.45 47.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -116.84 115.73 26.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.74 HG11 HD21 ' A' ' 64' ' ' LEU . 3.8 p -95.7 137.91 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.459 HG23 ' HG2' ' A' ' 98' ' ' LYS . 14.8 p -114.37 114.42 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.906 HD11 HD11 ' A' ' 64' ' ' LEU . 16.1 mt -117.3 133.51 55.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.1 m -98.33 107.02 19.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 110.369 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.8 98.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.451 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.8 170.81 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.01 -14.98 20.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.539 HG12 HG23 ' A' ' 27' ' ' THR . 14.2 t -129.29 -61.27 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.584 ' O ' ' C ' ' A' ' 28' ' ' GLY . 22.3 p -96.76 68.73 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.445 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -20.22 -89.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -108.58 -26.29 10.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.4 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 52.34 67.1 2.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.455 HD11 HD13 ' A' ' 21' ' ' LEU . 14.0 mt -136.55 149.18 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.6 mm100 -126.94 142.45 51.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.1 159.72 23.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.523 ' OE1' HD12 ' A' ' 48' ' ' LEU . 1.5 pt20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.943 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.523 HD12 ' OE1' ' A' ' 34' ' ' GLN . 9.5 mt -91.92 147.26 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.466 HD12 ' OD2' ' A' ' 68' ' ' ASP . 55.0 mt -65.06 95.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' GLN . 5.9 t -57.03 -57.56 12.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 58.7 t80 -144.45 157.54 44.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 33.9 mt -124.49 110.31 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.423 ' HA ' ' CE2' ' A' ' 51' ' ' TYR . 1.9 mp0 -50.24 156.09 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -90.52 167.25 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 48.23 24.7 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -104.01 165.1 14.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -20.58 16.91 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.89 -26.09 60.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -93.98 -24.56 17.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -53.91 51.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.2 m -60.49 -43.29 97.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 108.28 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.58 -5.94 59.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.1 m -69.81 -28.83 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.805 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.906 HD11 HD11 ' A' ' 21' ' ' LEU . 24.5 mt -81.56 106.23 13.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -96.62 150.29 20.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.6 mm -60.4 122.34 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.58 52.44 5.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.052 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.469 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 65.9 m-20 -85.23 -176.72 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.8 90.52 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.595 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.6 p -82.23 107.53 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 102' ' ' GLU . 1.4 mtp -74.34 -30.22 61.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -155.83 163.56 39.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.511 ' HB ' HD12 ' A' ' 89' ' ' LEU . 50.9 mt -137.71 101.29 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 100' ' ' THR . 0.2 OUTLIER 73.47 12.55 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.37 -19.08 24.83 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.434 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 12.3 mm -65.47 130.33 94.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.551 0.794 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.2 Cg_endo -75.0 106.0 2.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.764 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 p -92.84 90.16 6.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -175.78 39.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -179.71 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.92 -176.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.974 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.2 p -103.88 150.22 24.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -45.75 -35.15 4.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.57 -36.81 76.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.526 ' OE2' HD21 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -55.01 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.27 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' GLU . . . -40.33 -49.67 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -55.06 -47.35 74.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -57.59 -44.02 85.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.338 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.526 HD21 ' OE2' ' A' ' 85' ' ' GLU . 13.6 mt -47.55 -58.56 4.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.759 ' CD2' HG21 ' A' ' 99' ' ' VAL . 17.1 mt -49.54 -56.87 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -25.22 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.753 ' OD1' HD12 ' A' ' 95' ' ' ILE . 8.6 t0 -88.36 -47.41 8.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.6 m -51.19 -25.44 5.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.5 t -58.39 -34.0 70.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.753 HD12 ' OD1' ' A' ' 92' ' ' ASP . 16.6 mt -48.83 -71.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.412 ' N ' HG22 ' A' ' 95' ' ' ILE . 5.4 t -64.66 -11.67 37.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.81 25.48 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.459 ' HG2' HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -150.63 135.73 17.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.759 HG21 ' CD2' ' A' ' 90' ' ' LEU . 8.9 p -124.06 143.74 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 74' ' ' ASN . 1.0 OUTLIER -118.82 107.34 13.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.611 ' HB2' HG12 ' A' ' 19' ' ' VAL . 1.3 mm? -103.07 121.43 42.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 71' ' ' MET . 31.8 tt0 -92.34 106.93 18.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 104' ' ' GLU . 15.3 mm -102.01 167.2 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.515 ' N ' HG22 ' A' ' 103' ' ' ILE . 3.0 tt0 -144.32 126.62 15.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 5.4 p90 -127.58 179.22 5.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.09 143.31 51.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 32.5 mt-10 -115.86 152.2 33.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 104' ' ' GLU . 0.8 OUTLIER -118.41 140.27 50.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.445 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.0 t -117.56 150.81 38.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.36 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.699 ' HG3' HG23 ' A' ' 100' ' ' THR . 17.5 tt0 -109.14 116.46 31.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.954 HG11 HD11 ' A' ' 64' ' ' LEU . 5.6 t -104.35 115.64 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.472 ' C ' HD13 ' A' ' 21' ' ' LEU . 66.1 t -104.22 99.74 9.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.725 HD11 HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -95.24 101.69 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' ASP . 2.0 m -66.7 100.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 22' ' ' THR . . . -35.03 97.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.484 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -59.85 166.36 3.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -74.98 0.67 8.61 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.618 HG12 HG23 ' A' ' 27' ' ' THR . 17.7 t -142.35 -57.56 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.618 HG23 HG12 ' A' ' 26' ' ' VAL . 21.1 p -104.65 70.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.413 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -25.75 -84.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.799 ' CD1' HG12 ' A' ' 99' ' ' VAL . 16.4 m-85 -115.64 -23.5 8.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.423 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 51.23 60.21 7.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.679 HD11 HD23 ' A' ' 21' ' ' LEU . 13.9 mt -129.75 145.96 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' SER . 2.1 mm100 -127.3 138.43 53.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mt -114.29 158.21 21.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.523 ' OE1' HD12 ' A' ' 48' ' ' LEU . 5.1 pt20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.883 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.523 HD12 ' OE1' ' A' ' 34' ' ' GLN . 2.5 mt -93.24 148.12 22.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.5 HD12 ' OD2' ' A' ' 68' ' ' ASP . 51.8 mt -69.61 98.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLN . 27.0 t -58.09 -55.63 32.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 87.0 t80 -143.58 154.79 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.1 mt -119.84 107.71 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.423 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -50.37 151.95 2.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 110.263 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.03 164.43 14.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 t70 53.59 20.92 2.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 p -104.4 166.08 12.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.489 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.03 -23.17 14.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -70.98 -25.04 62.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -96.76 -35.28 11.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.402 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 8.8 mtt-85 -51.33 -44.19 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.6 m -61.07 -41.7 97.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.23 22.78 72.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 m -103.75 -18.28 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.954 HD11 HG11 ' A' ' 19' ' ' VAL . 6.9 mt -92.53 124.66 36.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -107.22 149.02 28.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.1 mm -60.57 117.6 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.39 32.23 7.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.5 ' OD2' HD12 ' A' ' 49' ' ' ILE . 87.4 m-20 -63.66 -177.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -128.32 80.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 47' ' ' PRO . 8.9 p -67.69 115.37 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 39.0 mmm -89.4 -19.43 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -164.99 164.18 20.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.638 ' HB ' HD12 ' A' ' 89' ' ' LEU . 23.5 mt -137.05 106.1 4.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.45 5.57 4.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.23 -19.94 11.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.648 ' N ' HD12 ' A' ' 76' ' ' ILE . 1.8 mp -68.75 132.67 90.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 111.04 3.23 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 p -88.58 83.84 6.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 110.416 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -159.74 26.44 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 172.7 94.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 172.83 -173.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 110.008 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 p -100.49 148.8 24.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 2.1 t80 -52.49 -20.33 2.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.47 -34.36 60.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -49.66 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -47.74 -54.57 11.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -50.23 -31.51 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.38 -36.09 60.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.638 HD12 ' HB ' ' A' ' 73' ' ' ILE . 10.3 mt -55.08 -50.1 70.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.508 HD22 HG21 ' A' ' 99' ' ' VAL . 14.1 mt -55.48 -56.91 14.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.17 -29.92 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -84.34 -38.14 20.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' LEU . 70.8 m -56.44 -27.83 57.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.0 t -54.76 -19.38 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.961 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 96' ' ' THR . 21.2 mt -59.62 -71.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.447 ' N ' HG22 ' A' ' 95' ' ' ILE . 9.4 t -62.03 -13.73 28.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.45 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 22' ' ' THR . 0.1 OUTLIER 78.53 25.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.028 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.8 ptmt -163.77 155.16 16.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.799 HG12 ' CD1' ' A' ' 29' ' ' PHE . 7.9 p -131.35 138.55 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.699 HG23 ' HG3' ' A' ' 18' ' ' GLU . 11.2 m -106.96 101.74 11.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.634 ' CD2' HG22 ' A' ' 99' ' ' VAL . 2.1 mm? -89.97 117.03 28.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -87.32 106.8 18.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 16' ' ' THR . 9.7 mm -106.68 163.27 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.484 ' HB2' HG22 ' A' ' 16' ' ' THR . 5.4 tt0 -145.19 122.93 11.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 3.6 p90 -121.02 175.87 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.2 p30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -131.79 143.32 50.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.406 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 15.8 mt-10 -116.44 155.05 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.9 OUTLIER -113.87 145.83 40.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.402 HG22 ' HB ' ' A' ' 103' ' ' ILE . 4.3 t -120.32 156.03 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -115.66 113.11 23.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.632 HG21 HD21 ' A' ' 64' ' ' LEU . 6.6 t -100.45 114.45 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.486 HG13 ' CG ' ' A' ' 98' ' ' LYS . 25.1 t -104.75 101.62 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.742 HD11 ' CD1' ' A' ' 64' ' ' LEU . 25.2 mt -100.99 142.52 32.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 m -104.92 109.81 21.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.78 100.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.435 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -57.56 163.84 3.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 3.45 5.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.618 HG23 ' H ' ' A' ' 27' ' ' THR . 4.9 m -143.13 -60.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.618 ' H ' HG23 ' A' ' 26' ' ' VAL . 5.2 p -103.83 69.5 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.66 -88.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -115.13 -27.6 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.94 56.12 10.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.694 HD11 ' CD1' ' A' ' 21' ' ' LEU . 12.2 mt -122.97 146.06 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' SER . 2.1 mt-30 -128.29 139.93 52.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.532 HD22 ' HB2' ' A' ' 47' ' ' PRO . 76.2 mt -110.27 158.33 18.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.532 ' HB2' HD22 ' A' ' 33' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 3.5 mt -132.33 127.31 35.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.454 HG21 HD11 ' A' ' 52' ' ' ILE . 24.8 mt -41.97 104.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLN . 11.8 t -65.05 -54.62 27.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.517 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 79.2 t80 -142.27 160.43 40.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.494 HD13 ' O ' ' A' ' 64' ' ' LEU . 44.4 mt -131.29 112.32 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.29 154.43 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.03 162.89 15.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 49.67 30.83 3.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.74 168.3 7.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.495 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.2 Cg_endo -75.06 -18.85 18.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.82 -27.92 44.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -96.65 -11.31 25.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.406 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 5.4 mtt85 -77.31 -40.36 44.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.9 p -59.66 -41.6 90.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 108.301 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.92 -2.61 63.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -87.29 -30.17 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.742 ' CD1' HD11 ' A' ' 21' ' ' LEU . 66.0 mt -80.1 97.76 6.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -93.81 149.18 21.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.517 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.7 mm -57.53 113.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.67 29.62 7.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.579 ' HB3' HD12 ' A' ' 103' ' ' ILE . 8.8 m-20 -54.06 -173.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.589 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -126.67 60.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.691 ' O ' HG13 ' A' ' 70' ' ' VAL . 8.4 p -60.11 89.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' GLU . 50.0 mmm -68.37 -30.39 69.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.885 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -153.36 160.79 42.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.524 HG13 HG21 ' A' ' 78' ' ' THR . 84.5 mt -131.66 103.3 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.72 4.56 4.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.62 -14.22 20.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.606 HG23 ' HD2' ' A' ' 77' ' ' PRO . 3.4 mt -71.03 140.53 85.89 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.552 0.796 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.3 Cg_endo -75.01 103.23 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.885 HG23 ' HA ' ' A' ' 72' ' ' ALA . 68.4 p -71.95 71.49 0.8 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.422 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 178.79 47.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 t0 177.34 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.753 ' C ' HG23 ' A' ' 82' ' ' THR . 51.1 m -72.2 -8.15 53.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.753 HG23 ' C ' ' A' ' 81' ' ' SER . 0.8 OUTLIER 67.03 143.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.416 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.453 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -44.4 -32.84 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.49 -39.97 61.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.483 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 0.2 OUTLIER -76.79 -54.89 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.498 ' HB1' ' CD1' ' A' ' 33' ' ' LEU . . . -40.75 -48.62 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.34 -51.85 67.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -56.4 -44.73 80.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.3 mt -40.54 -36.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.765 ' CD2' HG21 ' A' ' 99' ' ' VAL . 16.3 mt -71.06 -61.26 1.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -42.58 -27.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.442 ' O ' HD12 ' A' ' 95' ' ' ILE . 14.3 t70 -84.6 -47.58 10.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -44.4 -29.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.33 -41.75 39.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.093 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 92' ' ' ASP . 3.3 mt -44.53 -73.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.454 HG23 ' H ' ' A' ' 98' ' ' LYS . 11.2 t -64.43 -11.07 29.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.428 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 m 65.05 25.87 12.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.486 ' CG ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -148.24 146.79 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.765 HG21 ' CD2' ' A' ' 90' ' ' LEU . 14.9 p -140.31 136.02 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.9 m -108.49 104.15 13.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.9 mt -95.22 111.18 23.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' MET . 3.3 tt0 -86.53 112.96 22.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.579 HD12 ' HB3' ' A' ' 68' ' ' ASP . 1.3 mm -110.99 167.67 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.467 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.3 tt0 -142.31 123.66 14.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.503 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.6 p90 -121.57 179.86 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.69 139.6 49.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 14.5 mt-10 -110.38 156.55 20.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -116.85 145.35 43.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.475 HG22 ' HB ' ' A' ' 103' ' ' ILE . 5.0 t -119.01 153.8 34.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.608 ' HG3' HG23 ' A' ' 100' ' ' THR . 15.6 tt0 -115.34 113.26 23.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.628 HG21 HD21 ' A' ' 64' ' ' LEU . 8.5 t -101.56 127.0 55.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.7 t -113.89 108.68 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.765 HD11 ' CD1' ' A' ' 64' ' ' LEU . 16.3 mt -108.32 142.93 37.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' ASP . 7.5 m -105.01 108.83 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -43.03 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.467 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.81 170.1 0.2 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -75.0 -13.31 21.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.542 HG12 HG23 ' A' ' 27' ' ' THR . 14.4 t -130.72 -61.49 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.555 ' O ' ' C ' ' A' ' 28' ' ' GLY . 19.9 p -97.05 69.5 2.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.18 -85.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.493 1.121 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.433 ' CE2' ' HB2' ' A' ' 93' ' ' SER . 14.1 m-85 -116.09 -27.43 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.11 62.71 4.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.634 HD11 ' HB2' ' A' ' 58' ' ' ALA . 5.5 mt -131.63 145.35 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' SER . 2.7 mm100 -125.44 145.16 50.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mt -117.48 163.23 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 111.052 -0.403 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.495 HD22 ' O ' ' A' ' 68' ' ' ASP . 12.2 mt -136.37 135.45 38.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.881 HD12 ' OD2' ' A' ' 68' ' ' ASP . 22.8 mt -54.7 98.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 32' ' ' GLN . 18.2 t -58.31 -57.68 11.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.517 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 85.1 t80 -137.66 159.92 40.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.43 HG22 ' HB2' ' A' ' 59' ' ' GLU . 60.3 mt -128.62 109.25 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.07 149.33 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.79 159.55 19.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 t0 56.7 18.83 3.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.15 166.31 13.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.486 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.03 -22.73 14.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.771 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.634 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -73.32 -27.86 61.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.43 ' HB2' HG22 ' A' ' 52' ' ' ILE . 5.3 tp10 -96.33 -12.03 25.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -64.02 -60.94 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.405 ' HB2' HG22 ' A' ' 63' ' ' VAL . 37.2 m -60.18 -43.47 95.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.258 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.47 -22.23 17.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.405 HG22 ' HB2' ' A' ' 61' ' ' CYS . 30.4 m -48.76 -29.21 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.765 ' CD1' HD11 ' A' ' 21' ' ' LEU . 39.4 mt -86.81 99.95 12.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.461 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 4.8 mt-30 -94.26 145.57 24.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.517 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.4 mm -50.75 114.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.95 30.03 8.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.881 ' OD2' HD12 ' A' ' 49' ' ' ILE . 74.2 m-20 -53.02 -177.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.514 ' H ' HG23 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -118.22 54.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.861 ' HA ' HD13 ' A' ' 103' ' ' ILE . 2.7 p -55.41 91.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 102' ' ' GLU . 49.4 mmm -73.73 -33.35 64.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.935 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -147.59 178.07 8.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 97.2 mt -142.06 97.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.07 9.3 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.84 -12.58 20.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.668 HG21 HD11 ' A' ' 89' ' ' LEU . 7.9 mm -72.05 132.42 84.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.2 Cg_endo -74.98 100.05 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.935 HG23 ' HA ' ' A' ' 72' ' ' ALA . 60.8 p -65.97 73.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.9 OUTLIER -171.36 -44.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.68 -47.06 87.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.3 m -79.28 -156.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.9 p -119.24 160.7 21.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -47.96 -27.48 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -69.53 -50.23 46.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.474 ' OE2' HD21 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -43.65 -60.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.41 -50.49 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -56.92 -49.77 74.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -43.05 81.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.668 HD11 HG21 ' A' ' 76' ' ' ILE . 10.3 mt -45.85 -52.25 11.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.78 ' CD2' HG21 ' A' ' 99' ' ' VAL . 14.7 mt -59.02 -59.13 5.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.99 -40.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -77.13 -43.59 33.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' LEU . 6.7 m -44.8 -36.81 3.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t -48.16 -27.01 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 96' ' ' THR . 17.6 mt -53.12 -73.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.479 HG23 ' H ' ' A' ' 98' ' ' LYS . 9.6 t -65.18 -12.41 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 0.3 OUTLIER 68.77 24.48 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.015 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.479 ' H ' HG23 ' A' ' 96' ' ' THR . 3.9 tttt -148.74 144.87 27.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.78 HG21 ' CD2' ' A' ' 90' ' ' LEU . 7.9 p -141.7 143.06 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.608 HG23 ' HG3' ' A' ' 18' ' ' GLU . 10.7 m -114.56 98.14 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.651 HD22 HG22 ' A' ' 99' ' ' VAL . 3.8 mm? -86.81 119.29 26.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' MET . 11.6 tt0 -95.41 119.0 33.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.861 HD13 ' HA ' ' A' ' 70' ' ' VAL . 5.6 mm -115.12 167.35 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.446 ' N ' HG22 ' A' ' 103' ' ' ILE . 3.7 tt0 -141.7 124.52 16.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 1.2 p90 -121.14 -179.55 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 p30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.3 p-80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -129.43 146.92 51.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.486 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 4.8 mt-10 -120.43 148.89 43.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.5 OUTLIER -106.96 148.84 28.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 t -136.42 141.0 43.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.831 ' HG3' HG23 ' A' ' 100' ' ' THR . 3.9 tt0 -105.77 124.06 48.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 101' ' ' LEU . 9.2 p -99.72 134.63 38.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.467 ' CG1' ' HE2' ' A' ' 98' ' ' LYS . 53.6 t -115.34 99.24 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 mt -101.99 139.55 37.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.7 m -102.17 109.05 20.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.373 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.07 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.449 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -50.48 167.77 0.25 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.0 -10.78 21.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.538 HG12 HG23 ' A' ' 27' ' ' THR . 20.8 t -131.37 -60.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.564 ' O ' ' C ' ' A' ' 28' ' ' GLY . 9.2 p -100.68 70.27 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -21.43 -85.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.498 ' CD2' HD22 ' A' ' 90' ' ' LEU . 14.9 m-85 -113.61 -38.63 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.447 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 66.57 59.99 6.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 mt -129.43 141.58 46.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -121.19 132.19 54.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.819 HD12 ' HB2' ' A' ' 47' ' ' PRO . 1.2 mm? -99.68 157.93 16.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.457 ' HG2' ' CB ' ' A' ' 48' ' ' LEU . 2.3 pp0? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.819 ' HB2' HD12 ' A' ' 33' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CB ' ' HG2' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -39.22 136.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.697 HG22 ' O ' ' A' ' 49' ' ' ILE . 10.6 mt -69.27 83.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' GLN . 30.7 t -39.78 -61.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.601 ' HA ' HD12 ' A' ' 66' ' ' ILE . 90.0 t80 -144.4 158.11 43.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.468 HG13 ' CG2' ' A' ' 49' ' ' ILE . 17.6 mt -121.11 109.66 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.447 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -50.04 153.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.262 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -89.51 169.3 11.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 47.3 25.02 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -107.27 164.09 15.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HA ' ' HB2' ' A' ' 60' ' ' ARG . 18.1 Cg_endo -75.06 -21.22 15.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.528 1.804 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.8 -25.21 62.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 62' ' ' GLY . 2.1 tp10 -96.42 -39.69 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.408 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 19.3 mtt180 -42.22 -53.05 4.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.1 m -66.75 -34.7 78.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 59.82 22.26 56.95 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.44 HG23 ' HG ' ' A' ' 64' ' ' LEU . 33.6 m -87.65 -10.31 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.481 0.754 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.44 ' HG ' HG23 ' A' ' 63' ' ' VAL . 1.2 mt -107.88 124.09 49.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -102.29 155.04 18.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 51' ' ' TYR . 21.2 mm -66.43 105.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 68' ' ' ASP . . . 110.07 22.13 6.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.495 ' CG ' HD12 ' A' ' 49' ' ' ILE . 34.5 p-10 -51.43 -177.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.439 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -138.8 66.49 1.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.53 HG13 ' HD2' ' A' ' 47' ' ' PRO . 8.4 p -64.45 115.68 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 102' ' ' GLU . 69.9 mmm -75.79 -24.7 55.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.574 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -160.05 158.67 30.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.788 HG13 HG21 ' A' ' 78' ' ' THR . 54.2 mt -126.72 111.84 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 100' ' ' THR . 0.2 OUTLIER 61.73 18.23 9.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 106.68 -16.35 40.47 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.138 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.444 HG21 HD11 ' A' ' 89' ' ' LEU . 21.1 mm -66.11 128.97 94.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.4 Cg_endo -74.93 76.04 3.49 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.769 . . . . 0.0 111.072 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.788 HG21 HG13 ' A' ' 73' ' ' ILE . 33.6 p -59.3 85.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.398 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' PRO . 7.7 pt-20 -179.71 53.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 171.21 -40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.9 m -59.17 -164.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.977 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 p -113.88 156.77 23.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -48.56 -24.1 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -74.0 -38.15 64.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -49.13 -67.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.95 -58.79 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -50.24 -39.21 44.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -67.52 -39.46 85.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.444 HD11 HG21 ' A' ' 76' ' ' ILE . 27.4 mt -52.8 -51.55 60.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.899 ' CD2' HG21 ' A' ' 99' ' ' VAL . 15.3 mt -54.54 -64.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.66 -54.36 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.62 -56.42 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.471 ' OG ' HG23 ' A' ' 99' ' ' VAL . 59.2 m -42.45 -40.87 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 p -43.81 -29.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.9 mt -50.81 -66.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.0 t -72.67 -3.77 27.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m 64.83 24.4 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.467 ' HE2' ' CG1' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -146.68 136.24 23.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.899 HG21 ' CD2' ' A' ' 90' ' ' LEU . 8.0 p -126.97 149.83 32.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.831 HG23 ' HG3' ' A' ' 18' ' ' GLU . 1.1 m -124.71 130.21 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.615 ' HB2' HG12 ' A' ' 19' ' ' VAL . 6.3 mt -125.87 120.1 29.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.3 tt0 -89.11 105.19 17.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 104' ' ' GLU . 4.5 mm -99.79 167.21 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.502 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.9 tt0 -143.91 123.52 13.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.486 ' CD1' ' O ' ' A' ' 15' ' ' GLU . 5.2 p90 -125.64 173.86 8.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -129.37 142.26 50.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' CE1' ' A' ' 105' ' ' PHE . 20.2 mt-10 -118.26 151.81 36.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -105.28 154.68 19.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.411 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 t -137.41 140.93 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.458 ' HG2' ' CG2' ' A' ' 100' ' ' THR . 0.7 OUTLIER -107.88 116.1 31.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.769 HG11 HD21 ' A' ' 64' ' ' LEU . 5.2 p -95.19 126.5 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.481 HG13 ' HG2' ' A' ' 98' ' ' LYS . 53.5 t -112.54 99.62 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.757 HD11 HD11 ' A' ' 64' ' ' LEU . 7.6 mt -104.56 139.79 38.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' ALA . 8.2 m -101.46 106.16 17.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.491 ' HA ' ' C ' ' A' ' 28' ' ' GLY . . . -36.98 113.57 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.423 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -59.16 158.49 18.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.14 8.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.4 t -118.77 -63.14 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.9 p -95.23 -85.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.512 ' O ' ' CG ' ' A' ' 57' ' ' PRO . . . 156.26 -101.4 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.742 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 32.4 m-85 -106.34 -18.97 13.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.71 71.34 0.6 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 mt -145.89 135.45 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' SER . 41.4 mm-40 -117.97 130.44 56.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 47' ' ' PRO . 23.3 mt -102.98 156.33 17.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.602 ' HB2' HD22 ' A' ' 33' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.038 -0.408 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.536 HD22 ' O ' ' A' ' 68' ' ' ASP . 6.1 mt -90.33 154.69 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.5 mt -73.01 105.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' GLN . 29.5 t -66.82 -53.68 30.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.518 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 92.3 t80 -149.23 157.73 43.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.436 HD12 HG12 ' A' ' 66' ' ' ILE . 24.1 mt -120.35 110.44 28.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.97 152.59 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.88 163.84 14.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t0 54.99 19.6 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 p -102.18 164.09 16.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.95 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.512 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -75.01 -14.8 21.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -75.57 -29.79 59.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -92.56 -19.13 22.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.424 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 3.2 mtt180 -73.83 -50.42 20.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.966 ' SG ' HG22 ' A' ' 63' ' ' VAL . 31.9 p -60.76 -37.24 81.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 108.271 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.99 38.8 96.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.966 HG22 ' SG ' ' A' ' 61' ' ' CYS . 34.8 m -108.93 -22.31 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.769 HD21 HG11 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -95.64 137.36 34.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -114.35 152.24 31.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 5.3 mm -66.6 113.83 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.55 28.22 20.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.536 ' O ' HD22 ' A' ' 48' ' ' LEU . 3.1 t0 -59.7 -160.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -142.36 94.51 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 47' ' ' PRO . 9.9 p -83.67 118.46 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.419 ' N ' ' O ' ' A' ' 102' ' ' GLU . 55.0 mmm -86.81 -18.7 30.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.701 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -166.47 168.75 14.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.463 HG13 ' CG2' ' A' ' 78' ' ' THR . 54.2 mt -139.07 99.48 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 100' ' ' THR . 0.5 OUTLIER 72.64 15.13 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.88 -13.08 45.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.685 HG23 ' HD2' ' A' ' 77' ' ' PRO . 5.2 mt -71.9 141.73 84.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.685 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.04 117.34 4.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.701 HG23 ' HA ' ' A' ' 72' ' ' ALA . 5.4 p -81.67 70.84 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.445 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -176.17 -41.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -62.9 -51.62 66.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.4 m -77.93 -162.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.7 p -125.65 170.47 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -53.88 -27.69 31.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -68.08 -34.67 76.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -58.33 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.93 -53.64 4.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -52.45 -46.73 66.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.24 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -40.06 86.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.9 mt -50.49 -41.34 53.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.569 HD22 HG21 ' A' ' 99' ' ' VAL . 11.3 mt -63.46 -52.65 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -36.42 76.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -78.26 -21.22 50.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.3 m -85.89 -12.92 49.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 m -76.66 -21.18 55.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.8 mt -55.49 -63.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 t -69.96 -6.74 35.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.53 28.79 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.481 ' HG2' HG13 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -147.52 147.26 29.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.569 HG21 HD22 ' A' ' 90' ' ' LEU . 14.7 p -140.93 140.15 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.458 ' CG2' ' HG2' ' A' ' 18' ' ' GLU . 24.4 m -121.36 112.51 18.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.399 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.683 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -111.4 130.13 55.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -98.0 107.99 20.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 16' ' ' THR . 5.6 mm -104.46 160.78 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.414 ' N ' HG22 ' A' ' 103' ' ' ILE . 18.2 tt0 -131.61 134.99 46.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.541 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.5 p90 -132.06 -179.88 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.61 139.11 53.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.0 165.48 13.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -113.97 147.14 39.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.433 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.449 ' HB ' ' CE1' ' A' ' 105' ' ' PHE . 7.9 t -128.07 150.06 50.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.459 ' CG ' HG23 ' A' ' 100' ' ' THR . 0.4 OUTLIER -113.36 122.26 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 101' ' ' LEU . 8.4 p -97.49 149.02 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.0 p -126.07 100.49 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.827 ' CD1' HD11 ' A' ' 31' ' ' ILE . 26.7 mt -103.68 133.11 49.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.2 m -100.02 109.82 22.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.11 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.458 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -54.16 170.96 0.29 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.407 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.03 -14.29 21.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.516 HG12 HG23 ' A' ' 27' ' ' THR . 14.7 t -129.72 -59.59 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.567 ' O ' ' C ' ' A' ' 28' ' ' GLY . 22.8 p -98.02 68.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.04 -87.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 28.4 m-85 -114.84 -26.98 7.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.759 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.69 59.8 7.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.827 HD11 ' CD1' ' A' ' 21' ' ' LEU . 13.6 mt -129.41 145.95 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 0.794 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' SER . 0.4 OUTLIER -131.38 140.17 49.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.705 HD22 ' N ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -103.45 162.45 13.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.547 ' OE1' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.586 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.547 HD12 ' OE1' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -81.76 138.72 35.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.6 mt -50.15 93.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLN . 16.4 t -51.65 -51.9 52.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.574 ' HA ' HD12 ' A' ' 66' ' ' ILE . 77.0 t80 -152.68 167.69 28.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.4 mt -134.46 106.84 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.16 152.47 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.24 165.33 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t0 51.93 22.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.01 164.93 13.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.411 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.04 -21.22 15.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.435 ' CB ' HG12 ' A' ' 31' ' ' ILE . . . -69.5 -31.84 70.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -91.5 -22.85 20.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.4 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 4.9 mtp180 -56.71 -51.26 69.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.532 ' HB2' HG22 ' A' ' 63' ' ' VAL . 7.8 p -60.11 -43.16 95.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 108.316 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' VAL . . . 86.04 -42.94 3.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' A' ' 61' ' ' CYS . 17.7 m -40.26 -37.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.501 ' CD1' HD11 ' A' ' 21' ' ' LEU . 41.1 mt -71.47 109.82 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -101.71 159.12 15.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' A' ' 51' ' ' TYR . 10.4 mm -69.14 124.17 24.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.8 45.36 21.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.536 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -76.49 -169.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.75 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -122.89 89.07 3.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 47' ' ' PRO . 7.0 p -82.02 111.97 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -79.38 -29.22 42.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.18 167.01 24.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.832 ' HB ' HD12 ' A' ' 89' ' ' LEU . 13.4 mt -134.06 99.91 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 100' ' ' THR . 0.2 OUTLIER 73.38 23.0 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.43 -13.05 64.72 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.731 HG21 HD11 ' A' ' 89' ' ' LEU . 9.7 mm -73.67 134.78 78.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.3 Cg_endo -75.01 114.73 4.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.438 1.757 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.714 HG21 HG13 ' A' ' 73' ' ' ILE . 2.6 p -96.89 84.14 3.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.09 64.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 t0 173.52 -62.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -174.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.069 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.511 ' O ' ' CG ' ' A' ' 85' ' ' GLU . 4.1 p -80.46 144.01 32.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -49.81 -23.93 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -19.15 61.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 82' ' ' THR . 2.1 pp20? -61.86 -37.13 83.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.74 -51.77 17.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -50.99 -22.23 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -41.3 18.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.832 HD12 ' HB ' ' A' ' 73' ' ' ILE . 10.7 mt -52.69 -20.8 3.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.749 HD23 HG21 ' A' ' 99' ' ' VAL . 15.9 mt -83.04 -60.14 2.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -56.16 -18.42 10.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.738 ' O ' HD12 ' A' ' 95' ' ' ILE . 21.7 t0 -86.79 -37.04 18.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.531 ' OG ' HG23 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -62.07 -41.02 97.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -39.41 -31.02 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.983 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 92' ' ' ASP . 7.9 mt -52.53 -70.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.509 HG23 ' H ' ' A' ' 98' ' ' LYS . 8.4 t -69.13 -9.0 50.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.352 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.75 16.49 4.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.509 ' H ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -140.11 150.48 44.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.749 HG21 HD23 ' A' ' 90' ' ' LEU . 8.0 p -141.24 138.82 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.459 HG23 ' CG ' ' A' ' 18' ' ' GLU . 1.1 m -112.98 129.33 56.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.431 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.59 ' HB2' HG12 ' A' ' 19' ' ' VAL . 1.5 mt -127.65 129.55 47.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.93 109.08 21.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 104' ' ' GLU . 14.8 mm -104.42 162.47 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.3 tt0 -124.75 136.23 53.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.52 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.1 p90 -139.34 178.18 7.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.725 HG22 ' HA ' ' A' ' 106' ' ' ASP . 0.8 OUTLIER -132.87 138.98 47.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.383 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.76 -173.98 2.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.482 HG22 ' HB2' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -137.41 149.23 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 t -122.23 157.57 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.55 ' HG3' HG23 ' A' ' 100' ' ' THR . 25.8 tt0 -110.1 116.49 31.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.0 t -102.76 136.42 35.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.2 t -123.02 113.77 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.0 HD11 HD11 ' A' ' 64' ' ' LEU . 15.6 mt -114.98 134.73 54.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 m -98.46 108.66 21.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.592 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.44 99.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.47 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -51.53 170.98 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.01 -14.03 21.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.529 HG12 HG23 ' A' ' 27' ' ' THR . 10.9 t -131.26 -61.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.554 ' O ' ' C ' ' A' ' 28' ' ' GLY . 20.4 p -95.59 68.49 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.9 -90.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 23.5 m-85 -115.17 -21.13 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.786 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 40.2 69.38 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.453 HD11 ' CD1' ' A' ' 21' ' ' LEU . 4.0 mt -130.79 145.73 35.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 0.741 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.1 mm100 -128.48 145.45 51.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.471 HD22 ' HB2' ' A' ' 47' ' ' PRO . 5.3 mt -117.0 164.86 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.732 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 68' ' ' ASP . 3.2 mt -76.01 123.6 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.593 HD12 ' HB2' ' A' ' 68' ' ' ASP . 22.2 mt -41.06 106.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 32' ' ' GLN . 3.1 t -64.62 -53.69 43.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.508 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 84.4 t80 -142.61 160.92 39.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.469 HG22 ' HB2' ' A' ' 59' ' ' GLU . 32.6 mt -130.8 111.34 20.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.21 149.16 3.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.13 161.24 19.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t70 53.75 21.17 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.0 165.55 13.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.495 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -74.98 -24.66 12.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.65 -28.12 65.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.469 ' HB2' HG22 ' A' ' 52' ' ' ILE . 1.2 tp10 -96.75 -34.37 11.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.421 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 2.9 mtp180 -43.27 -59.16 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 58.2 m -60.67 -43.4 97.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 108.281 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.85 -15.33 43.4 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.506 HG23 ' HG ' ' A' ' 64' ' ' LEU . 27.5 m -51.11 -42.22 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.563 0.802 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.0 HD11 HD11 ' A' ' 21' ' ' LEU . 15.7 mt -76.76 105.07 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.65 145.49 24.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 5.3 mm -52.65 108.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 98.73 30.04 7.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.623 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -56.18 -177.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.603 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -120.02 69.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 47' ' ' PRO . 6.8 p -65.91 96.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -70.68 -32.54 69.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.648 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -149.26 -169.82 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.543 HG13 HG21 ' A' ' 78' ' ' THR . 20.1 mt -155.84 98.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.88 11.88 4.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.93 -3.3 31.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.501 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 8.7 mm -83.79 131.84 50.63 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 106.49 2.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.793 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.543 HG21 HG13 ' A' ' 73' ' ' ILE . 2.2 p -82.33 60.81 5.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.403 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -153.65 40.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -169.43 -45.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -173.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.7 p -106.9 162.35 13.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.426 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.502 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.8 t80 -54.96 -21.48 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -76.35 -39.6 53.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.438 ' OE1' HD21 ' A' ' 89' ' ' LEU . 0.9 OUTLIER -56.76 -66.35 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.83 -41.51 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.87 -54.41 39.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.55 -42.61 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.47 HD12 ' HB ' ' A' ' 73' ' ' ILE . 10.0 mt -47.22 -41.96 19.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 90' ' ' LEU . 14.7 mt -67.31 -45.45 76.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -29.12 67.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -79.76 -56.58 4.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.6 m -42.7 -33.28 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 m -49.07 -35.41 15.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.8 mp -53.13 -65.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.3 t -69.42 -9.14 52.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.349 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.72 31.39 16.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -154.81 145.64 22.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.1 p -142.15 147.19 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.55 HG23 ' HG3' ' A' ' 18' ' ' GLU . 17.0 m -117.02 97.66 6.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.0 mt -91.35 120.12 31.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.85 115.35 27.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.49 HG23 ' H ' ' A' ' 69' ' ' ARG . 4.8 mm -109.07 167.57 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.482 ' HB2' HG22 ' A' ' 16' ' ' THR . 4.9 tt0 -141.18 126.9 19.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.249 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.552 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.1 p90 -124.96 -179.82 4.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.725 ' HA ' HG22 ' A' ' 14' ' ' THR . 1.2 p-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -128.06 156.89 42.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.357 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 47.8 mt-10 -129.26 149.9 50.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.7 OUTLIER -108.48 144.49 36.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 110.398 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -130.18 142.85 50.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.353 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -104.54 119.61 39.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.058 HG11 HD11 ' A' ' 64' ' ' LEU . 4.8 t -95.02 130.97 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.677 HG13 ' HG3' ' A' ' 98' ' ' LYS . 55.4 t -124.49 100.58 7.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.567 HD13 ' C ' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -102.37 121.35 42.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 23' ' ' ALA . 5.6 m -81.6 103.84 11.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 22' ' ' THR . . . -34.72 97.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.471 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -61.64 165.04 8.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -74.95 4.7 4.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.607 HG23 ' H ' ' A' ' 27' ' ' THR . 4.5 m -144.34 -59.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.607 ' H ' HG23 ' A' ' 26' ' ' VAL . 22.1 p -105.68 70.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.594 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -19.94 -91.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 21.3 m-85 -106.66 -22.24 12.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 53.11 68.28 1.7 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 58' ' ' ALA . 8.3 mt -145.45 142.37 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.6 mt-30 -123.06 141.07 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.493 HD13 ' HB1' ' A' ' 86' ' ' ALA . 49.3 mt -105.35 167.06 9.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.607 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.947 -0.443 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -79.72 167.14 21.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.433 HD11 HD22 ' A' ' 64' ' ' LEU . 52.9 mt -80.26 103.18 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.8 t -59.22 -55.13 38.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.526 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 81.8 t80 -150.62 155.82 40.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.409 ' CG1' HG21 ' A' ' 49' ' ' ILE . 34.9 mt -123.57 108.18 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.35 158.38 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.65 162.09 13.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t0 55.97 19.53 3.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.96 167.69 10.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.954 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -25.71 11.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -70.29 -24.2 62.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -97.04 -30.9 12.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -55.22 -56.76 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.455 ' SG ' HG22 ' A' ' 63' ' ' VAL . 5.3 p -57.34 -32.5 66.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.06 41.11 76.68 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.455 HG22 ' SG ' ' A' ' 61' ' ' CYS . 33.2 m -111.46 -3.11 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.058 HD11 HG11 ' A' ' 19' ' ' VAL . 3.2 mt -108.34 156.98 18.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -133.95 149.56 51.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 7.4 mm -64.76 114.4 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.98 25.56 31.48 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 48' ' ' LEU . 4.0 t0 -57.53 -169.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.406 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -131.99 94.98 3.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 47' ' ' PRO . 7.8 p -86.16 118.21 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 49.2 mmm -84.54 -16.92 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.44 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -169.57 160.27 8.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.578 HG23 HD23 ' A' ' 101' ' ' LEU . 56.7 mt -129.36 97.88 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.79 24.59 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.42 -11.4 61.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.777 HG21 HD11 ' A' ' 89' ' ' LEU . 11.2 mm -69.8 129.95 90.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.4 Cg_endo -74.99 91.67 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.571 HG21 HG13 ' A' ' 73' ' ' ILE . 1.9 p -66.38 73.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -176.72 35.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.5 36.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.482 ' HB3' ' CB ' ' A' ' 85' ' ' GLU . 6.1 m -142.54 -164.51 1.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.7 p -121.93 152.96 39.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -37.07 -39.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.7 mt-10 -62.16 -55.03 32.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 0.5 OUTLIER -37.27 -71.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.493 ' HB1' HD13 ' A' ' 33' ' ' LEU . . . -43.3 -45.75 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -58.94 -51.36 70.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -47.41 71.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.777 HD11 HG21 ' A' ' 76' ' ' ILE . 17.6 mt -40.81 -45.68 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.813 ' CD2' HG21 ' A' ' 99' ' ' VAL . 14.9 mt -60.8 -71.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' LEU . 3.7 mtp180 -36.84 -45.52 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -57.09 14.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 95' ' ' ILE . 18.9 m -42.64 -45.44 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.961 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.7 p -39.53 -29.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.044 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' SER . 28.7 mt -52.16 -70.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.0 t -65.29 -10.1 29.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.57 25.83 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.677 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -149.93 125.04 10.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.813 HG21 ' CD2' ' A' ' 90' ' ' LEU . 14.9 p -114.46 143.47 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.2 m -120.07 121.43 38.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.578 HD23 HG23 ' A' ' 73' ' ' ILE . 24.4 mt -122.0 125.09 45.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 4.5 tt0 -92.61 109.44 20.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 104' ' ' GLU . 4.5 mm -108.86 164.67 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.477 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.9 tt0 -142.59 125.53 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 4.1 p90 -126.5 177.25 6.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 105' ' ' PHE . 0.9 OUTLIER -119.96 133.78 55.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 43.7 mt-10 -118.25 142.87 47.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -100.54 137.2 39.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.407 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 t -112.66 141.61 46.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.64 126.12 41.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.0 t -113.1 123.65 68.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.459 ' CG1' ' HE2' ' A' ' 98' ' ' LYS . 61.9 t -105.51 115.25 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.561 ' CD1' HD12 ' A' ' 101' ' ' LEU . 6.7 mt -116.33 140.1 49.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.2 m -102.56 107.77 18.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.458 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -44.06 98.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.459 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -55.16 164.88 1.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.3 21.47 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.482 HG12 HG23 ' A' ' 27' ' ' THR . 54.5 t -123.8 -57.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.545 ' O ' ' C ' ' A' ' 28' ' ' GLY . 13.0 p -108.9 73.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.24 -86.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.508 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 23.7 m-85 -114.71 -21.06 10.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 50.63 58.77 8.68 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.475 HG12 ' CB ' ' A' ' 58' ' ' ALA . 13.5 mt -127.59 142.62 43.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.2 mm-40 -126.93 127.41 44.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.77 HD12 ' HB2' ' A' ' 47' ' ' PRO . 2.0 mm? -92.95 158.11 15.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.77 ' HB2' HD12 ' A' ' 33' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 68' ' ' ASP . 2.1 mt -86.06 137.06 32.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.494 HG21 HD11 ' A' ' 52' ' ' ILE . 39.1 mt -50.67 93.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' GLN . 43.4 t -59.92 -58.47 8.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.509 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 72.6 t80 -143.57 151.53 40.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.494 HD11 HG21 ' A' ' 49' ' ' ILE . 20.8 mt -119.62 108.91 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.464 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 1.6 mp0 -50.23 156.22 0.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.54 168.49 13.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 t0 45.66 26.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 p -105.64 162.44 19.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.964 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -18.28 18.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 111.041 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.637 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -78.21 -24.01 47.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -93.08 -20.94 20.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -45.48 72.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.358 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -42.84 82.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 108.298 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.442 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 83.88 -48.69 4.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.9 m -42.42 -28.42 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 58' ' ' ALA . 21.4 mt -76.4 98.44 4.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.435 ' N ' ' OD2' ' A' ' 68' ' ' ASP . 40.8 tt0 -95.77 157.37 15.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.509 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.0 mm -69.15 124.87 25.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.9 55.36 4.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.504 ' O ' HD23 ' A' ' 48' ' ' LEU . 72.0 m-20 -96.13 -179.04 4.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.434 ' CZ ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -116.16 89.07 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 72' ' ' ALA . 10.9 p -87.1 119.79 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 102' ' ' GLU . 1.8 mmt -84.31 -27.66 27.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.951 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -145.6 160.62 41.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.748 ' HA ' HD23 ' A' ' 101' ' ' LEU . 7.2 mt -122.46 -0.08 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 2.7 p30 167.6 42.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.65 -40.32 2.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.442 HG23 ' HD2' ' A' ' 77' ' ' PRO . 9.8 mm -65.03 136.03 96.6 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.2 Cg_endo -75.0 92.0 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.791 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.951 HG23 ' HA ' ' A' ' 72' ' ' ALA . 67.4 p -51.76 94.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.431 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -174.33 34.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 81' ' ' SER . 2.3 t70 -169.28 175.18 5.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 80' ' ' ASP . 0.9 OUTLIER 78.98 -151.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.2 p -117.19 157.84 25.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -28.67 13.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.82 -34.57 73.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -50.2 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.447 ' HB1' ' CD1' ' A' ' 73' ' ' ILE . . . -43.12 -42.03 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.76 -42.83 76.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.465 ' NE2' ' HD3' ' A' ' 91' ' ' ARG . 28.7 mm100 -62.32 -31.42 72.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.24 -41.03 75.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.364 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.3 mt -63.62 -54.9 28.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.465 ' HD3' ' NE2' ' A' ' 88' ' ' GLN . 3.4 mtt85 -52.33 -20.96 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.88 -50.76 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -47.49 -26.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 p -57.06 -20.95 27.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.8 mt -58.34 -65.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.452 HG23 ' H ' ' A' ' 98' ' ' LYS . 10.1 t -74.4 -7.75 53.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.31 22.39 10.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.459 ' HE2' ' CG1' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -147.05 143.25 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.8 p -134.14 146.87 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -113.38 100.78 8.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 73' ' ' ILE . 48.7 mt -99.09 115.83 29.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' MET . 0.6 OUTLIER -96.06 108.52 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' A' ' 16' ' ' THR . 36.3 mm -98.0 163.47 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.444 ' N ' HG22 ' A' ' 103' ' ' ILE . 4.4 tt0 -132.86 146.79 52.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 15' ' ' GLU . 38.2 p90 -146.37 -179.65 6.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.72 141.51 51.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 3.1 mt-10 -112.2 156.7 21.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 103' ' ' ILE . 0.7 OUTLIER -119.7 139.17 52.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.421 HG22 ' HB ' ' A' ' 103' ' ' ILE . 2.1 t -112.31 162.27 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.416 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.74 111.9 16.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.063 HG21 HD21 ' A' ' 64' ' ' LEU . 5.0 t -95.17 131.61 41.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.747 HG13 ' HG2' ' A' ' 98' ' ' LYS . 41.6 t -120.71 99.35 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.656 HD23 HD11 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -98.8 121.65 41.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 24' ' ' ASP . 2.8 m -83.73 102.21 12.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -36.88 97.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.5 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -65.01 161.33 48.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.2 Cg_endo -75.08 0.53 8.82 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.453 1.764 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.692 HG12 HG23 ' A' ' 27' ' ' THR . 77.9 t -129.2 -61.2 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.692 HG23 HG12 ' A' ' 26' ' ' VAL . 82.4 p -116.19 76.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.565 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -20.8 -90.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.607 ' CD1' HG12 ' A' ' 99' ' ' VAL . 14.1 m-85 -111.42 -20.54 12.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.61 64.77 3.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.656 HD11 HD23 ' A' ' 21' ' ' LEU . 4.7 mt -136.87 147.13 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 50' ' ' SER . 7.4 mm-40 -134.83 136.0 42.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.684 HD22 ' N ' ' A' ' 33' ' ' LEU . 1.1 mm? -98.59 154.54 17.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.681 ' HG2' HG13 ' A' ' 70' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 2.9 mt -140.07 137.72 34.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.477 HG21 ' CG1' ' A' ' 52' ' ' ILE . 65.0 mt -52.61 92.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLN . 11.6 t -53.96 -58.58 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.938 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 76.3 t80 -138.83 157.5 45.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.477 ' CG1' HG21 ' A' ' 49' ' ' ILE . 48.9 mt -127.81 107.63 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.89 151.67 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.79 166.02 16.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 t70 48.59 30.49 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -110.83 164.36 15.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.427 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -75.05 -19.15 18.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -73.56 -25.27 60.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -97.0 -25.26 15.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -61.78 -38.98 90.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.711 ' HB3' HG22 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -57.98 -43.01 86.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 108.279 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.73 6.28 84.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.711 HG22 ' HB3' ' A' ' 61' ' ' CYS . 33.1 m -102.49 -16.17 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.063 HD21 HG21 ' A' ' 19' ' ' VAL . 27.7 mt -90.2 104.72 17.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 66' ' ' ILE . 10.2 tp60 -100.46 148.62 24.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.2 mm -58.66 113.12 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.82 26.62 7.04 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.128 . . . . 0.0 111.062 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.717 ' HB3' HD12 ' A' ' 103' ' ' ILE . 2.9 m-20 -53.47 -173.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.591 ' H ' HG23 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -125.82 61.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.681 HG13 ' HG2' ' A' ' 47' ' ' PRO . 7.9 p -58.86 87.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 102' ' ' GLU . 49.7 mmm -66.08 -34.04 77.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.992 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -147.88 -179.72 7.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.462 HG13 HG21 ' A' ' 78' ' ' THR . 69.7 mt -148.88 102.77 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 0.3 OUTLIER 74.6 11.06 3.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 109.244 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.89 -10.18 37.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.3 mm -79.2 132.56 62.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.2 Cg_endo -75.03 100.6 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.992 HG23 ' HA ' ' A' ' 72' ' ' ALA . 50.5 p -62.12 79.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 77' ' ' PRO . 7.5 tt0 -172.31 -36.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.45 41.98 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.88 -171.24 2.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.0 p -101.22 153.86 19.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -48.22 -32.98 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.54 -40.26 84.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.523 ' OE2' HD21 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -43.5 -62.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' LEU . . . -42.4 -61.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -46.22 -36.37 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -71.92 -36.21 69.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.523 HD21 ' OE2' ' A' ' 85' ' ' GLU . 14.6 mt -58.07 -21.47 45.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.7 mt -80.85 -51.22 8.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -58.35 -15.77 11.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.436 ' OD1' HD12 ' A' ' 95' ' ' ILE . 15.2 t0 -89.63 -54.04 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.55 -38.07 19.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.041 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.1 m -43.68 -31.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.958 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.436 HD12 ' OD1' ' A' ' 92' ' ' ASP . 9.8 mt -54.68 -64.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.2 t -70.36 -5.64 29.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.398 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.555 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 1.9 m 58.92 33.24 22.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.747 ' HG2' HG13 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -157.31 121.25 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.607 HG12 ' CD1' ' A' ' 29' ' ' PHE . 7.4 p -113.45 147.27 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.6 m -122.14 103.78 9.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.402 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.523 HD11 ' CD1' ' A' ' 31' ' ' ILE . 47.8 mt -98.89 118.77 36.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' MET . 2.4 tt0 -92.17 107.21 19.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.717 HD12 ' HB3' ' A' ' 68' ' ' ASP . 3.9 mm -102.23 167.05 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.455 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.6 tt0 -141.4 122.29 14.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 15' ' ' GLU . 1.8 p90 -123.39 177.73 5.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.251 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.32 136.12 47.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -117.32 148.15 41.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.254 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -102.12 143.8 31.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t -117.87 142.6 47.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.364 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -109.15 115.19 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.677 HG12 ' HB2' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -104.07 151.56 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 20' ' ' VAL . 11.0 p -126.37 103.71 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.548 HD11 HD11 ' A' ' 64' ' ' LEU . 23.7 mt -100.75 125.12 47.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' ALA . 4.9 m -93.63 107.12 19.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.464 ' HA ' ' C ' ' A' ' 28' ' ' GLY . . . -37.59 104.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.45 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -43.81 162.74 0.19 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 10.59 1.67 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.923 HG23 ' H ' ' A' ' 27' ' ' THR . 2.6 m -140.8 -82.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.923 ' H ' HG23 ' A' ' 26' ' ' VAL . 39.7 p -63.56 -72.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 57' ' ' PRO . . . 136.24 -95.1 0.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.658 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 28.2 m-85 -111.61 -23.56 10.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.428 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 49.59 71.04 0.67 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.463 HG12 ' CB ' ' A' ' 58' ' ' ALA . 6.3 mt -144.62 143.26 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.73 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.5 mt-30 -126.34 145.34 50.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.9 mt -107.2 157.4 17.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.547 ' CD ' HD12 ' A' ' 48' ' ' LEU . 3.7 pt20 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.468 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 68' ' ' ASP . 0.7 OUTLIER -82.98 141.03 32.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.532 HD12 ' OD2' ' A' ' 68' ' ' ASP . 34.4 mt -60.68 104.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLN . 6.4 t -65.72 -55.38 17.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.646 ' HA ' HD12 ' A' ' 66' ' ' ILE . 83.3 t80 -142.77 152.19 42.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.422 HG22 ' HB2' ' A' ' 59' ' ' GLU . 18.3 mt -118.14 108.18 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -49.79 149.5 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -82.29 171.17 14.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 43.35 28.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 54' ' ' ALA . 2.9 p -109.24 163.95 15.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.522 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.0 -17.72 19.3 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -74.59 -35.41 63.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.422 ' HB2' HG22 ' A' ' 52' ' ' ILE . 4.8 tp10 -83.49 -22.18 32.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -68.91 -47.33 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -41.89 78.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 108.281 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 82.1 -49.62 4.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -40.71 -31.9 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.548 HD11 HD11 ' A' ' 21' ' ' LEU . 16.0 mt -73.79 105.28 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -105.68 144.74 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 51' ' ' TYR . 22.4 mm -58.52 125.02 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.35 30.55 16.09 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.642 ' O ' HD23 ' A' ' 48' ' ' LEU . 38.4 p-10 -72.19 178.02 4.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.441 ' CZ ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -122.93 75.47 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 47' ' ' PRO . 2.7 p -72.9 115.51 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.0 mtp -84.56 -21.05 30.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.481 ' HB3' ' HB2' ' A' ' 102' ' ' GLU . . . -153.84 154.21 33.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.46 HG12 HD12 ' A' ' 101' ' ' LEU . 30.0 mt -119.87 -2.94 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.404 HD21 HD22 ' A' ' 89' ' ' LEU . 18.6 p30 170.0 42.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.91 -34.89 4.3 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.598 HG23 ' HD2' ' A' ' 77' ' ' PRO . 11.0 mm -63.22 139.31 97.54 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.598 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.2 Cg_endo -75.0 93.37 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.1 p -68.05 72.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -178.65 61.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -177.98 -39.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m -78.62 -169.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 85' ' ' GLU . 7.4 p -106.93 153.0 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.9 t80 -38.47 -35.17 0.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -50.22 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -48.16 -60.77 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.2 -54.74 35.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -48.35 -38.88 20.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 91' ' ' ARG . 2.3 tp-100 -65.06 -43.44 92.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.404 HD22 HD21 ' A' ' 74' ' ' ASN . 47.2 mt -43.23 -44.62 5.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.521 HD22 ' CD2' ' A' ' 29' ' ' PHE . 15.5 mt -69.54 -40.17 77.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' GLN . 4.5 mtp180 -61.63 -33.19 73.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.324 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -86.95 -46.04 10.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.6 m -43.85 -37.51 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.96 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.7 p -44.62 -30.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.7 mt -59.64 -67.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 98' ' ' LYS . 11.6 t -72.14 -5.28 34.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.359 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m 49.9 33.09 6.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.406 ' H ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -151.27 133.11 15.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.574 HG13 HD21 ' A' ' 101' ' ' LEU . 10.4 p -134.54 150.53 30.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.3 m -116.59 106.5 13.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.677 ' HB2' HG12 ' A' ' 19' ' ' VAL . 1.3 mm? -98.99 115.3 28.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -93.93 106.17 18.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' A' ' 16' ' ' THR . 4.3 mm -101.31 158.35 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.441 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.6 tt0 -134.24 127.0 30.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.467 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 4.9 p90 -128.61 179.38 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.7 p30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 p -120.52 150.3 41.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.382 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -119.27 -177.86 3.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -133.19 139.42 47.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.43 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.434 ' HB ' ' CE1' ' A' ' 105' ' ' PHE . 14.0 t -124.76 141.13 52.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.624 ' CD ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -95.58 120.5 35.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.1 t -99.27 117.1 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.624 HG23 ' CD ' ' A' ' 18' ' ' GLU . 42.5 t -105.83 104.52 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.537 HD13 HD11 ' A' ' 31' ' ' ILE . 15.3 mt -107.98 137.81 45.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.8 m -101.01 108.24 19.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' THR . . . -39.83 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.473 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -52.64 170.64 0.24 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.2 Cg_endo -75.03 -13.17 21.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.525 HG12 HG23 ' A' ' 27' ' ' THR . 19.5 t -131.04 -61.87 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.574 ' O ' ' C ' ' A' ' 28' ' ' GLY . 29.5 p -97.07 69.88 2.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.362 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.574 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -21.8 -78.61 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.575 1.172 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.995 ' CD2' HD12 ' A' ' 90' ' ' LEU . 19.5 m-30 -115.97 -28.44 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 56.03 59.34 10.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.537 HD11 HD13 ' A' ' 21' ' ' LEU . 10.1 mt -133.69 144.21 36.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.779 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.5 mm-40 -126.1 131.1 52.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 33' ' ' LEU . 2.4 mm? -92.76 155.43 17.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.629 ' CD ' HD12 ' A' ' 48' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -81.36 145.39 30.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.531 HG22 ' O ' ' A' ' 49' ' ' ILE . 12.1 mt -60.52 95.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLN . 9.7 t -54.98 -53.49 55.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.972 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.528 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 86.2 t80 -148.24 156.72 42.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.5 mt -118.46 104.46 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.81 152.6 1.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.66 161.34 14.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.79 17.7 4.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.39 169.8 6.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -18.96 18.51 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.66 ' O ' HD23 ' A' ' 64' ' ' LEU . . . -72.04 -22.61 61.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.42 -30.86 15.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -52.32 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.871 ' O ' HG13 ' A' ' 63' ' ' VAL . 11.7 p -58.6 -25.48 62.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 108.286 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 38.64 52.53 2.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.888 HG23 HD13 ' A' ' 64' ' ' LEU . 22.8 m -119.65 -6.49 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.888 HD13 HG23 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -97.33 137.95 35.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -111.37 141.36 45.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.528 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 11.0 mm -53.98 106.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 95.48 36.9 5.22 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.763 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.2 t0 -57.76 -160.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.502 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -137.74 55.06 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.619 ' CG1' HG21 ' A' ' 78' ' ' THR . 1.4 t -40.84 110.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.7 mmm -79.71 -22.18 43.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 76' ' ' ILE . . . -175.04 161.47 2.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.77 HG12 HD23 ' A' ' 101' ' ' LEU . 14.6 mt -126.51 104.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.64 16.29 10.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.23 -21.49 19.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.545 HG21 HD11 ' A' ' 89' ' ' LEU . 12.9 mm -62.45 130.31 93.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.4 Cg_endo -75.0 93.85 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.511 1.795 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.619 HG21 ' CG1' ' A' ' 70' ' ' VAL . 1.7 p -62.59 78.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 77' ' ' PRO . 20.1 tt0 -177.63 38.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.8 t0 178.88 59.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.424 ' HB3' ' CB ' ' A' ' 85' ' ' GLU . 14.5 m -164.24 -166.72 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.03 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.415 ' C ' ' N ' ' A' ' 84' ' ' GLU . 6.2 p -117.34 150.48 38.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.367 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.435 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 8.1 t80 -42.14 -26.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.05 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 82' ' ' THR . 7.2 mt-10 -75.96 -51.76 11.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.424 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 26.6 mm-40 -38.81 -66.65 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -44.03 -61.46 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.465 ' OD1' HD23 ' A' ' 33' ' ' LEU . 13.5 m-20 -44.49 -41.55 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.78 -44.09 86.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.545 HD11 HG21 ' A' ' 76' ' ' ILE . 18.8 mt -50.16 -35.26 25.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.995 HD12 ' CD2' ' A' ' 29' ' ' PHE . 4.4 mm? -70.65 -58.44 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -46.27 -48.73 17.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -60.43 3.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.8 m -44.45 -37.36 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.5 t -46.83 -24.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.0 mt -54.87 -60.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.8 t -74.54 -1.89 23.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.49 33.1 22.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.21 134.01 10.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.707 HG21 HD13 ' A' ' 90' ' ' LEU . 11.6 p -135.46 145.61 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.563 HG23 ' HG3' ' A' ' 18' ' ' GLU . 1.3 m -115.47 97.3 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.379 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.77 HD23 HG12 ' A' ' 73' ' ' ILE . 1.5 mt -92.63 115.79 28.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 1.3 tp10 -82.92 119.72 24.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 104' ' ' GLU . 8.9 mm -114.23 164.0 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.482 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.8 tt0 -132.05 127.36 35.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.492 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 3.1 p90 -132.86 178.12 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.38 135.08 54.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.435 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 14.1 mt-10 -118.5 145.09 45.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -103.01 139.98 37.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -114.7 146.4 40.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.46 ' HG3' HG23 ' A' ' 100' ' ' THR . 0.4 OUTLIER -105.84 123.08 47.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 t -112.0 107.74 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 20' ' ' VAL . 3.2 p -90.24 105.8 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.3 mt -105.76 134.42 48.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.4 m -100.33 109.66 21.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.81 98.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.466 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -50.2 170.6 0.16 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.407 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.01 -14.75 21.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.528 1.804 . . . . 0.0 111.051 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 27' ' ' THR . 16.2 t -129.35 -62.42 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.562 ' O ' ' C ' ' A' ' 28' ' ' GLY . 33.8 p -96.26 69.66 2.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.09 -89.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.515 ' CD2' HD22 ' A' ' 90' ' ' LEU . 23.9 m-85 -112.0 -24.14 10.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.77 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 49.45 66.84 2.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 111.052 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.3 mt -133.99 145.44 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.498 ' C ' HD22 ' A' ' 33' ' ' LEU . 3.2 mt-30 -128.24 134.44 48.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.839 HD12 ' HB2' ' A' ' 47' ' ' PRO . 0.7 OUTLIER -101.77 165.3 11.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.839 ' HB2' HD12 ' A' ' 33' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.945 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.504 HD23 ' CA ' ' A' ' 67' ' ' GLY . 0.8 OUTLIER -38.73 138.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.6 mt -65.5 94.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.0 t -52.37 -58.61 6.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.521 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 89.9 t80 -148.13 158.46 44.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 111.038 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.9 mt -123.02 109.87 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.43 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -51.05 149.83 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.38 169.98 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.5 t0 45.02 28.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.25 164.96 13.61 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.44 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.04 -18.99 18.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.407 1.741 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.741 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -72.32 -43.26 64.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -75.46 -27.88 59.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -60.54 -46.4 90.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -42.98 82.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.252 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 82.35 -48.44 3.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.1 m -41.55 -30.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.741 HD12 ' O ' ' A' ' 58' ' ' ALA . 13.1 mt -74.41 107.52 6.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -102.19 154.37 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.521 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 6.0 mm -69.67 119.06 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.504 ' CA ' HD23 ' A' ' 48' ' ' LEU . . . 85.79 38.34 8.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.44 ' HB3' HD12 ' A' ' 103' ' ' ILE . 0.8 OUTLIER -82.09 -177.82 6.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -120.43 98.27 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 72' ' ' ALA . 9.7 p -96.63 123.2 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.402 ' O ' ' OG1' ' A' ' 78' ' ' THR . 5.6 mtp -86.95 -22.89 25.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.855 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -151.85 156.43 40.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' A' ' 73' ' ' ILE . 16.0 mt -119.41 1.62 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.9 p30 169.51 43.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.57 -33.75 4.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.605 HG23 ' HD2' ' A' ' 77' ' ' PRO . 19.6 mm -66.21 139.96 96.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.75 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.2 Cg_endo -74.97 98.67 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.515 1.798 . . . . 0.0 111.02 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.855 HG23 ' HA ' ' A' ' 72' ' ' ALA . 33.1 p -59.17 84.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.395 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.2 OUTLIER 179.16 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.69 -25.12 65.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.0 m -97.45 -164.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.4 p -114.65 165.39 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.432 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -52.83 -26.88 15.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.92 -45.5 64.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.3 -53.15 30.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.333 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.04 -59.41 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -53.46 -44.15 68.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -45.41 94.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.467 HD12 ' HB ' ' A' ' 73' ' ' ILE . 7.6 mt -42.13 -50.92 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.515 HD22 ' CD2' ' A' ' 29' ' ' PHE . 20.2 mt -57.86 -62.17 2.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -39.5 -39.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.791 ' O ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -78.57 -49.73 12.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -46.37 -26.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t -54.45 -39.61 67.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.791 HD12 ' O ' ' A' ' 92' ' ' ASP . 1.8 mp -44.75 -73.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.481 HG23 ' H ' ' A' ' 98' ' ' LYS . 6.9 t -62.03 -16.17 49.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.31 29.6 7.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.481 ' H ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -152.4 143.19 22.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.605 HG22 ' CD1' ' A' ' 101' ' ' LEU . 11.7 p -139.59 150.9 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.46 HG23 ' HG3' ' A' ' 18' ' ' GLU . 23.3 m -116.91 97.6 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.376 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.605 ' CD1' HG22 ' A' ' 99' ' ' VAL . 3.1 mp -92.26 110.6 22.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -91.33 104.29 16.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.44 HD12 ' HB3' ' A' ' 68' ' ' ASP . 18.6 mm -99.48 160.59 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -134.22 145.99 49.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 15' ' ' GLU . 34.8 p90 -143.83 -179.23 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.179 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 m -92.5 136.59 33.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.36 85.81 2.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.16 159.32 10.0 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 m -44.31 105.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 0.735 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -84.73 165.54 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.4 -115.01 0.8 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.5 85.17 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.29 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.11 89.46 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -77.14 153.48 34.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.756 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 12' ' ' VAL . 48.5 t -120.71 161.65 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 107' ' ' VAL . 9.9 p -80.75 163.16 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -95.98 166.33 11.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.617 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 p -128.24 144.05 51.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.47 177.43 4.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -130.8 140.83 50.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.441 HG22 ' HB ' ' A' ' 103' ' ' ILE . 15.2 t -125.92 141.61 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.5 122.33 40.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.866 HG11 HD11 ' A' ' 64' ' ' LEU . 8.3 t -95.6 120.51 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 20' ' ' VAL . 6.1 p -107.07 104.82 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.816 ' CD1' HD11 ' A' ' 31' ' ' ILE . 31.4 mt -109.4 132.36 54.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.6 m -98.95 110.38 23.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.27 99.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.45 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -57.69 164.2 3.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.0 2.89 6.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.627 HG23 ' H ' ' A' ' 27' ' ' THR . 5.0 m -141.66 -60.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.627 ' H ' HG23 ' A' ' 26' ' ' VAL . 10.5 p -103.8 69.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.395 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.7 -89.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -113.58 -28.42 7.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 44.86 65.01 1.94 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.816 HD11 ' CD1' ' A' ' 21' ' ' LEU . 19.2 mt -126.08 142.64 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 50' ' ' SER . 5.1 mm-40 -123.71 140.44 52.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.49 159.28 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.478 ' CD ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -114.52 133.96 55.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.494 ' CA ' HD21 ' A' ' 43' ' ' LEU . . . -175.67 -129.33 1.2 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.64 -176.12 5.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.987 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.4 p -103.57 -43.6 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -104.19 151.88 22.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -165.74 -169.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.243 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.3 m -106.86 -41.87 5.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.364 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.689 ' HG3' HG23 ' A' ' 42' ' ' THR . 2.4 pt-20 -151.02 -51.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.689 HG23 ' HG3' ' A' ' 41' ' ' GLU . 69.9 p -108.94 -133.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.355 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.494 HD21 ' CA ' ' A' ' 35' ' ' GLY . 13.8 tp -132.15 9.02 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.1 p 51.42 23.72 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.9 p 177.61 151.71 0.41 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.004 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.4 Cg_endo -74.97 147.58 34.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.78 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.789 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.3 Cg_endo -75.0 105.69 2.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.069 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.478 HD12 ' CD ' ' A' ' 34' ' ' GLN . 1.4 mt -97.87 148.09 23.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.915 HD12 ' OD2' ' A' ' 68' ' ' ASP . 21.6 mt -64.43 99.55 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.0 t -60.47 -56.44 21.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.511 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 76.9 t80 -146.36 154.82 42.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.683 HD11 HG21 ' A' ' 49' ' ' ILE . 19.3 mt -126.79 111.05 24.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.99 153.31 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.02 157.81 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 61.22 15.14 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.31 170.43 6.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.4 Cg_endo -75.01 -27.43 10.01 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.406 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . . . -69.3 -26.2 64.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 62' ' ' GLY . 6.1 tp10 -96.45 -41.0 8.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.31 -47.46 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 80.2 m -62.69 -40.86 98.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 108.27 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 70.79 4.94 55.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.143 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.6 m -85.02 -12.46 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.866 HD11 HG11 ' A' ' 19' ' ' VAL . 5.5 mt -98.5 104.47 16.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -86.74 159.15 19.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.34 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.511 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 4.7 mm -74.14 114.32 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.06 35.83 6.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.432 1.083 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.915 ' OD2' HD12 ' A' ' 49' ' ' ILE . 83.9 m-20 -64.41 -176.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.471 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -126.68 82.61 2.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.789 HG12 ' O ' ' A' ' 47' ' ' PRO . 9.6 p -73.29 117.63 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 56.0 mmm -89.29 -11.88 42.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 76' ' ' ILE . . . -175.97 161.57 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.6 mt -129.04 99.57 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.48 26.23 6.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.17 -22.19 37.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.58 HG21 HD11 ' A' ' 89' ' ' LEU . 18.1 mm -61.4 125.88 85.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.2 Cg_endo -75.03 95.9 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -61.04 84.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.442 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -171.71 47.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.513 ' HA ' HG22 ' A' ' 42' ' ' THR . 1.3 t0 172.88 176.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.0 m 70.9 -163.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.1 p -112.35 154.92 24.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -44.34 -30.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.66 -44.31 94.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.33 -60.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.93 -47.19 74.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -55.71 -41.08 73.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -42.72 99.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.346 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.58 HD11 HG21 ' A' ' 76' ' ' ILE . 13.6 mt -45.44 -56.38 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.848 ' CD2' HG21 ' A' ' 99' ' ' VAL . 16.2 mt -49.84 -67.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 94' ' ' SER . 15.7 mtt180 -37.59 -59.48 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.558 ' OD1' HD12 ' A' ' 95' ' ' ILE . 11.3 t0 -50.99 -50.1 59.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.402 ' CB ' ' HB ' ' A' ' 99' ' ' VAL . 6.0 m -44.49 -32.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 91' ' ' ARG . 16.3 m -51.91 -32.55 33.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.034 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.558 HD12 ' OD1' ' A' ' 92' ' ' ASP . 13.5 mt -51.8 -65.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.2 t -69.65 -6.74 33.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.14 27.69 15.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.974 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -155.08 130.98 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.848 HG21 ' CD2' ' A' ' 90' ' ' LEU . 12.1 p -125.21 140.43 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 m -111.56 123.87 51.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.402 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.468 HD21 HD21 ' A' ' 90' ' ' LEU . 36.3 mt -118.93 119.65 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -85.7 106.18 16.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.441 ' HB ' HG22 ' A' ' 17' ' ' THR . 4.0 mm -101.25 163.12 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.2 tt0 -136.27 123.74 22.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.506 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.1 p90 -130.46 175.97 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.73 157.37 16.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.493 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 16.5 t -122.8 136.79 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.66 140.16 58.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.411 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.9 pt-20 -119.92 168.48 11.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 57.3 p -59.71 103.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 109' ' ' GLU . 8.8 p -165.16 141.39 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.634 HG23 ' HD2' ' A' ' 113' ' ' PRO . 4.7 mt -89.87 141.36 28.15 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.99 -175.78 2.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 t -94.67 140.03 30.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.959 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 98.5 p -71.53 109.32 5.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -165.03 -140.08 2.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.0 m -128.62 124.57 36.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.77 . . . . 0.0 109.98 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 156.11 -80.72 0.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.65 13.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 80.4 p -123.02 136.32 54.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.6 m -52.82 146.55 10.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.06 81.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.984 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -115.08 129.35 56.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.06 124.47 6.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -140.59 129.72 23.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 110.045 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.05 87.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.01 127.13 8.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.03 -61.96 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 0.737 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.73 -63.62 0.18 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -58.46 150.92 21.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 0.783 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 12' ' ' VAL . 92.1 t -122.37 161.51 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.437 ' N ' HG12 ' A' ' 11' ' ' VAL . 9.8 p -79.96 163.07 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -108.39 166.74 10.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -129.0 155.34 45.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.457 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.564 ' HG3' HG21 ' A' ' 107' ' ' VAL . 4.7 mt-10 -131.43 148.92 52.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.9 OUTLIER -105.96 154.15 20.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 t -140.09 146.16 38.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.403 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.496 ' CD ' HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -101.32 119.51 38.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.347 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.4 t -99.61 117.05 44.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.496 HG23 ' CD ' ' A' ' 18' ' ' GLU . 39.8 t -101.4 117.6 46.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.52 HD13 HD11 ' A' ' 31' ' ' ILE . 22.1 mt -119.07 131.04 55.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -98.94 110.88 23.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -45.05 100.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.445 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -57.08 163.78 2.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 2.5 6.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.607 HG23 ' H ' ' A' ' 27' ' ' THR . 4.9 m -141.4 -60.03 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.607 ' H ' HG23 ' A' ' 26' ' ' VAL . 8.3 p -104.32 69.63 0.93 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.63 -87.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 13.5 m-85 -116.67 -29.86 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.83 68.95 1.11 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.52 HD11 HD13 ' A' ' 21' ' ' LEU . 24.2 mt -134.99 141.66 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.753 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.565 ' C ' HD22 ' A' ' 33' ' ' LEU . 3.9 mm-40 -125.06 142.57 51.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.686 HD22 ' N ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -103.23 163.32 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.15 155.42 19.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.38 -142.05 9.51 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.3 173.39 1.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 0.794 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.2 m -116.19 -39.9 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -104.26 138.4 40.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -175.13 -163.33 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 m -127.26 -77.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.413 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.69 -33.97 9.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.4 p -125.95 -134.19 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.416 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' SER . 10.5 mt -94.13 10.98 31.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' LEU . 8.0 t 38.87 33.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 43' ' ' LEU . 2.8 p -178.01 157.79 1.14 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.1 Cg_endo -75.04 149.24 36.23 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.683 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.3 Cg_endo -75.02 106.99 2.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -89.62 147.77 23.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.762 HG21 HD11 ' A' ' 52' ' ' ILE . 30.5 mt -61.95 105.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' GLN . 12.5 t -65.79 -54.51 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.602 ' HA ' HD12 ' A' ' 66' ' ' ILE . 93.4 t80 -142.58 161.53 37.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.762 HD11 HG21 ' A' ' 49' ' ' ILE . 27.2 mt -135.41 106.56 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -49.99 153.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.53 163.66 15.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.2 t0 54.14 20.24 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.21 166.29 12.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.047 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -74.97 -19.38 17.97 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.532 1.806 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -74.5 -27.96 60.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' GLY . 5.9 tp10 -96.84 -41.4 8.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.414 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -43.39 -56.4 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.556 ' HB2' HG22 ' A' ' 63' ' ' VAL . 13.2 m -59.96 -33.02 71.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.273 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 61.56 16.53 50.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.556 HG22 ' HB2' ' A' ' 61' ' ' CYS . 28.4 m -90.48 0.76 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.467 HD11 HD11 ' A' ' 21' ' ' LEU . 2.1 mt -119.51 112.49 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -93.56 152.49 19.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' A' ' 51' ' ' TYR . 19.3 mm -65.62 101.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.04 32.31 3.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 34.0 p-10 -56.33 -168.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.41 53.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 47' ' ' PRO . 4.3 p -42.65 117.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.5 mmm -93.69 -16.83 23.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.608 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -175.72 157.44 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.568 HG12 HD23 ' A' ' 101' ' ' LEU . 94.9 mt -124.53 90.13 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.1 m-20 82.4 13.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.56 -26.7 9.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.618 HG23 ' HD2' ' A' ' 77' ' ' PRO . 4.1 mt -60.54 139.53 92.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.618 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.5 Cg_endo -74.93 112.19 3.5 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.608 HG23 ' HA ' ' A' ' 72' ' ' ALA . 3.0 p -79.48 67.81 5.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.336 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 178.13 38.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -166.83 58.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -179.86 -171.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 p -98.94 152.25 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -47.32 -27.9 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLN . 48.0 mt-10 -67.06 -43.98 81.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.78 -67.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.68 -55.85 12.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -53.32 -21.43 5.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -88.24 -35.54 17.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.454 HD11 HD12 ' A' ' 76' ' ' ILE . 16.0 mt -58.51 -16.85 17.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.804 HD23 HG21 ' A' ' 99' ' ' VAL . 18.8 mt -81.92 -55.01 4.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 92' ' ' ASP . 2.1 ptt180 -53.13 -20.37 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 91' ' ' ARG . 1.6 t0 -80.64 -65.02 1.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.689 ' OG ' HG23 ' A' ' 99' ' ' VAL . 10.3 m -39.44 -38.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.4 t -41.86 -29.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.401 ' N ' ' C ' ' A' ' 93' ' ' SER . 12.9 mt -56.38 -67.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 t -69.41 -6.42 29.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.18 25.46 8.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -151.28 132.17 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.804 HG21 HD23 ' A' ' 90' ' ' LEU . 9.9 p -126.97 144.24 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.3 m -110.1 143.22 40.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.568 HD23 HG12 ' A' ' 73' ' ' ILE . 39.2 mt -135.65 114.85 12.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -82.78 117.36 22.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 104' ' ' GLU . 11.8 mm -115.37 162.9 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.427 ' N ' HG22 ' A' ' 103' ' ' ILE . 5.2 tt0 -143.64 122.84 12.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 6.3 p90 -121.86 179.74 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -104.51 158.34 16.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.564 HG21 ' HG3' ' A' ' 15' ' ' GLU . 23.2 t -125.75 145.15 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.16 152.86 42.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -115.61 169.02 9.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 110.255 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.5 t -83.28 107.55 15.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.983 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.44 142.2 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.1 pt -60.95 154.06 62.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.85 21.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.1 p -162.98 139.87 7.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.61 139.29 2.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.29 -114.86 0.63 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.7 p -174.93 122.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.035 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -103.14 128.37 9.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 82.84 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.9 p -71.62 132.45 44.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.6 p -156.42 117.66 3.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 54.97 102.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -162.3 95.06 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.68 164.3 33.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -45.45 121.16 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.794 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 t -147.25 118.76 7.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.28 93.61 1.54 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.54 175.9 11.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.42 101.57 0.16 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -93.43 129.01 39.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.487 HG22 ' N ' ' A' ' 12' ' ' VAL . 14.4 p -156.91 167.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.85 HG23 ' HG2' ' A' ' 109' ' ' GLU . 9.7 p -119.96 163.07 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.424 ' CE1' ' HB ' ' A' ' 107' ' ' VAL . 55.8 p-80 -105.05 165.82 10.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.574 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.13 139.55 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 19.3 mt-10 -112.57 157.08 21.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -116.34 149.63 38.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.41 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.482 HG22 ' HB ' ' A' ' 103' ' ' ILE . 5.2 t -123.97 153.36 41.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.368 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -112.6 115.71 29.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.619 HG11 HD21 ' A' ' 64' ' ' LEU . 5.5 t -107.27 115.22 48.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 20' ' ' VAL . 4.8 p -102.21 118.9 49.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.806 HD11 ' CD1' ' A' ' 64' ' ' LEU . 48.2 mt -115.9 141.32 48.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.6 m -107.67 109.29 20.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.79 99.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.449 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -58.44 164.01 4.28 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -75.01 2.95 6.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.631 HG23 ' H ' ' A' ' 27' ' ' THR . 5.7 m -140.61 -60.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.631 ' H ' HG23 ' A' ' 26' ' ' VAL . 34.4 p -104.6 69.38 0.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.446 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.83 -87.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.096 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -114.9 -30.64 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.999 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.61 66.67 2.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.648 HD11 ' CD1' ' A' ' 21' ' ' LEU . 14.6 mt -134.54 142.37 40.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 50' ' ' SER . 5.3 mp0 -126.95 141.53 51.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 mt -111.96 160.91 16.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -112.42 165.48 12.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -159.74 -159.86 10.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.06 -177.03 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.027 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 m -110.38 -35.05 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.594 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 1.1 p90 -121.01 152.57 38.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 38' ' ' PHE . . . 169.59 -174.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.7 m -76.4 -78.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.36 -59.61 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.532 HG23 ' N ' ' A' ' 43' ' ' LEU . 7.1 t -122.82 -135.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.532 ' N ' HG23 ' A' ' 42' ' ' THR . 10.1 mt -87.45 12.67 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 38.72 38.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.949 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 173.08 170.01 0.25 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -74.99 148.27 35.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.709 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.02 94.44 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.564 1.823 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.787 HD23 ' O ' ' A' ' 68' ' ' ASP . 1.2 mt -74.04 130.52 39.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.962 HD12 ' OD2' ' A' ' 68' ' ' ASP . 41.3 mt -51.02 112.26 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.8 t -67.83 -52.78 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 86.5 t80 -141.4 158.43 43.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.491 ' CG1' HG21 ' A' ' 49' ' ' ILE . 71.0 mt -128.21 111.56 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.46 151.12 2.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.36 163.63 18.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 t0 49.48 23.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 p -102.05 163.91 16.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.498 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.93 -16.15 20.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.428 1.752 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.492 ' HA ' HD12 ' A' ' 64' ' ' LEU . . . -77.04 -28.26 54.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -97.23 -27.65 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 3.2 mtt180 -54.05 -53.15 57.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.3 m -60.46 -43.89 96.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.288 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.31 -19.9 24.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.9 m -57.55 -38.25 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.806 ' CD1' HD11 ' A' ' 21' ' ' LEU . 32.1 mt -78.05 98.79 5.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 66' ' ' ILE . 20.9 tp60 -92.96 146.92 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.2 mm -51.92 113.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 93.08 35.92 6.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.962 ' OD2' HD12 ' A' ' 49' ' ' ILE . 39.8 m-20 -59.38 -175.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.481 ' HD3' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -120.88 55.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.834 ' HA ' HD13 ' A' ' 103' ' ' ILE . 9.8 p -58.48 90.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 102' ' ' GLU . 69.5 mmm -70.08 -28.42 65.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.816 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -152.9 164.32 38.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.648 HG13 HG21 ' A' ' 78' ' ' THR . 92.1 mt -131.89 104.16 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.35 7.86 6.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.08 -15.18 21.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 77' ' ' PRO . 4.3 mt -72.28 141.09 83.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.453 0.737 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.0 119.28 5.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.816 HG23 ' HA ' ' A' ' 72' ' ' ALA . 82.5 p -95.75 62.05 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -172.85 64.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.5 t0 176.66 -44.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -170.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 p -96.8 155.85 16.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -51.48 -30.33 19.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -66.81 -34.97 78.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.21 -68.37 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.66 -48.52 2.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -55.51 -52.26 64.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -46.68 68.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.535 HD22 HD12 ' A' ' 76' ' ' ILE . 24.7 mt -40.22 -49.45 2.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.585 ' CD2' HG21 ' A' ' 99' ' ' VAL . 14.3 mt -61.63 -59.58 4.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -34.66 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.87 -48.11 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.1 -37.27 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.047 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.37 -28.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 96' ' ' THR . 15.8 mt -54.7 -72.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.473 ' N ' HG22 ' A' ' 95' ' ' ILE . 13.1 t -67.99 -8.13 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.22 27.19 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.059 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.21 147.97 29.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.585 HG21 ' CD2' ' A' ' 90' ' ' LEU . 8.5 p -148.53 139.36 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.6 m -111.33 105.87 14.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 110.448 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.566 HD12 HG21 ' A' ' 70' ' ' VAL . 2.9 mm? -92.37 114.22 26.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 71' ' ' MET . 6.3 tt0 -90.79 114.95 27.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.834 HD13 ' HA ' ' A' ' 70' ' ' VAL . 3.8 mm -109.82 167.37 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.455 ' N ' HG22 ' A' ' 103' ' ' ILE . 3.9 tt0 -141.19 124.42 16.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 1.2 p90 -121.17 -179.6 4.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.4 146.41 33.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.424 ' HB ' ' CE1' ' A' ' 13' ' ' HIS . 4.0 t -108.66 149.16 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.39 144.38 49.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.85 ' HG2' HG23 ' A' ' 12' ' ' VAL . 16.0 mm-40 -93.55 165.84 12.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.0 m -65.85 99.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.7 147.48 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.617 HG23 ' HD2' ' A' ' 113' ' ' PRO . 18.4 mm -43.55 141.15 2.16 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.617 ' HD2' HG23 ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.98 139.46 24.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.62 109.54 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 85.6 p -121.84 167.97 12.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -112.85 -106.08 2.77 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.6 p -127.44 119.3 25.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.985 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 176.6 -147.01 8.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 170.14 21.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.06 -65.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.6 m -136.71 -63.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.035 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -121.92 164.06 18.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 110.019 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.6 t 63.23 138.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.47 -60.08 0.17 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -54.93 151.59 8.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 110.003 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -141.83 128.61 20.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.0 -132.57 1.59 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.78 -66.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.43 94.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -94.39 128.95 41.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.51 HG22 ' N ' ' A' ' 12' ' ' VAL . 14.1 p -156.05 169.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.51 ' N ' HG22 ' A' ' 11' ' ' VAL . 7.9 p -105.74 163.5 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -112.49 163.86 13.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.78 141.34 50.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -121.26 158.87 27.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.4 OUTLIER -109.23 147.47 32.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 t -124.75 157.16 36.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.717 ' HG3' HG23 ' A' ' 100' ' ' THR . 21.2 tt0 -107.73 119.15 38.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.461 HG11 HD21 ' A' ' 64' ' ' LEU . 8.2 t -96.06 118.63 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 20' ' ' VAL . 5.7 p -105.02 120.46 55.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.457 HD22 ' O ' ' A' ' 57' ' ' PRO . 21.2 mt -128.14 135.84 50.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.0 m -98.62 111.15 23.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.67 98.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.446 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.41 169.77 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.6 Cg_endo -74.95 -13.87 21.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.551 HG12 HG23 ' A' ' 27' ' ' THR . 16.7 t -129.82 -61.36 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 28' ' ' GLY . 17.4 p -97.84 69.5 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.575 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -19.59 -90.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -105.74 -24.45 12.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.53 65.61 3.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 58' ' ' ALA . 20.8 mt -138.2 145.71 28.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.5 mm100 -121.54 146.51 46.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mt -115.98 164.45 14.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.45 137.02 53.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.7 -127.97 2.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.624 ' HB3' ' HB2' ' A' ' 39' ' ' ALA . 11.9 t -144.7 154.61 42.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 110.04 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m -43.8 -49.69 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.542 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 30.3 m-85 -136.03 -48.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.624 ' HB2' ' HB3' ' A' ' 36' ' ' SER . . . 73.57 154.49 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.4 m -76.8 -79.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.95 -67.2 0.91 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.425 HG21 ' O ' ' A' ' 80' ' ' ASP . 73.2 p -119.98 -134.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 45' ' ' SER . 20.9 tp -124.76 6.85 8.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER 37.72 31.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.976 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER 178.0 160.89 0.6 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.0 151.2 39.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -74.95 114.09 3.95 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.447 1.762 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 1.9 mt -94.39 138.89 31.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.458 ' CD1' ' OD2' ' A' ' 68' ' ' ASP . 32.1 mt -53.87 109.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 32' ' ' GLN . 7.4 t -72.14 -50.39 28.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.519 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 62.3 t80 -149.49 149.77 31.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.6 mt -113.64 107.59 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' HA ' ' CE2' ' A' ' 51' ' ' TYR . 1.8 mp0 -51.05 158.73 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.22 163.36 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.1 t0 53.6 20.68 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 p -101.09 161.24 24.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.457 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.1 Cg_endo -75.06 -18.59 18.47 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.477 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -74.25 -23.98 59.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -94.85 -31.68 13.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.94 -47.82 79.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.419 ' HB3' HG22 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -58.95 -42.55 90.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.276 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.41 30.33 77.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.419 HG22 ' HB3' ' A' ' 61' ' ' CYS . 15.5 m -108.09 -6.18 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 58' ' ' ALA . 1.4 mt -106.77 134.87 49.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -114.79 148.83 37.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 13.0 mm -59.45 110.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 95.99 25.21 13.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.483 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 44.2 p-10 -52.34 -179.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.27 77.89 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.655 HG21 HG12 ' A' ' 73' ' ' ILE . 10.8 p -70.82 112.69 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.05 -26.68 53.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.61 155.9 29.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.662 HG13 HG21 ' A' ' 78' ' ' THR . 16.2 mt -129.21 103.84 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.39 10.93 4.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.95 -17.9 29.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 5.8 mm -65.07 135.72 96.43 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.3 Cg_endo -75.01 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.444 1.76 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.662 HG21 HG13 ' A' ' 73' ' ' ILE . 18.3 p -87.83 93.67 9.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 176.83 39.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.425 ' O ' HG21 ' A' ' 42' ' ' THR . 0.4 OUTLIER -175.89 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -177.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.6 p -98.11 149.83 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.447 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -46.92 -32.35 3.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -63.31 -39.17 93.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.506 ' OE1' HD21 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -54.79 -66.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.42 -46.27 2.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.43 -58.83 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.37 -46.91 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.506 HD21 ' OE1' ' A' ' 85' ' ' GLU . 16.3 mt -42.12 -59.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.639 ' CD2' HG21 ' A' ' 99' ' ' VAL . 13.6 mt -46.63 -65.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -40.04 -52.23 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -57.6 -53.62 56.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 m -48.08 -30.98 4.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 p -55.29 -20.08 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.011 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.8 mt -63.12 -67.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.466 HG23 ' H ' ' A' ' 98' ' ' LYS . 5.0 t -65.42 -11.33 41.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.16 23.43 5.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.466 ' H ' HG23 ' A' ' 96' ' ' THR . 0.1 OUTLIER -149.97 132.15 15.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.639 HG21 ' CD2' ' A' ' 90' ' ' LEU . 11.4 p -122.08 144.84 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.717 HG23 ' HG3' ' A' ' 18' ' ' GLU . 1.2 m -120.14 103.54 9.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.1 mt -98.8 121.12 40.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -88.27 103.83 16.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.525 HG22 ' N ' ' A' ' 104' ' ' GLU . 21.9 mm -100.43 167.18 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.525 ' N ' HG22 ' A' ' 103' ' ' ILE . 4.3 tt0 -134.57 135.75 42.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.547 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.3 p90 -134.68 178.68 6.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -102.44 149.14 24.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.486 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 16.8 t -122.56 148.82 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.86 126.16 35.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -111.69 159.93 17.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.25 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.0 t -71.9 103.23 3.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.8 p -149.55 162.17 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.9 pp -60.66 111.23 3.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 155.26 42.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.447 1.762 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.4 t -171.38 -55.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.7 p -68.42 125.18 25.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.022 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 121.6 -134.5 10.01 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.1 p -165.16 130.8 2.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -41.34 119.28 1.57 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.547 1.154 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 111.28 3.29 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -59.4 5.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.7 m -72.42 -61.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m 42.07 90.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.771 . . . . 0.0 109.997 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.67 90.47 5.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.05 -173.19 39.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.16 98.54 9.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 p -81.71 157.73 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.003 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.65 -119.12 0.08 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.414 1.071 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -111.7 176.67 4.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.731 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.28 -117.15 2.57 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -177.38 -149.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 0.793 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.1 t 73.02 152.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 107' ' ' VAL . 9.8 p -81.73 163.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -110.58 165.31 11.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.582 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.68 142.76 51.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.395 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -125.83 153.11 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.6 OUTLIER -103.88 158.58 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.425 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 t -137.06 165.86 25.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -115.13 116.13 27.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.668 HG11 HD21 ' A' ' 64' ' ' LEU . 6.3 t -99.53 109.88 25.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 20' ' ' VAL . 3.9 p -99.25 118.43 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.545 HD11 HD11 ' A' ' 64' ' ' LEU . 22.6 mt -118.6 132.12 56.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.1 m -95.25 105.6 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.372 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -41.23 98.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.467 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -51.43 170.22 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -74.99 -13.58 21.38 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.779 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.514 HG12 HG23 ' A' ' 27' ' ' THR . 16.7 t -130.53 -60.96 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.544 ' O ' ' C ' ' A' ' 28' ' ' GLY . 23.1 p -96.95 68.88 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -24.29 -86.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.45 1.093 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 14.7 m-85 -115.8 -27.77 6.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.88 68.25 1.57 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.1 mt -134.97 143.46 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.64 136.38 53.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.727 HD12 ' HB2' ' A' ' 47' ' ' PRO . 1.1 mm? -97.64 159.92 14.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -121.5 146.84 46.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.09 -148.74 22.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.5 t -161.04 176.34 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.003 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.93 -47.33 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -100.24 135.37 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -169.86 -158.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.6 m -128.14 -62.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -118.69 -38.0 3.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.535 HG21 ' HA ' ' A' ' 80' ' ' ASP . 78.8 p -128.76 -134.42 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 mt -94.65 12.32 28.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 45' ' ' SER . 0.1 OUTLIER 39.85 37.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.6 OUTLIER 165.34 166.89 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 162.05 37.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.727 ' HB2' HD12 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -75.05 103.64 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.768 . . . . 0.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 11.8 mt -77.43 129.81 36.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.432 HD12 ' OD2' ' A' ' 68' ' ' ASP . 7.8 mt -49.73 117.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -46.03 23.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.506 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 84.3 t80 -151.2 156.99 42.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.89 107.84 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.92 153.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -88.08 169.53 11.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 45.78 26.19 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 54' ' ' ALA . 3.3 p -108.91 163.12 17.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.022 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.437 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -74.98 -23.61 13.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.515 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -69.74 -24.65 63.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.16 -22.81 17.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 3.0 mtt180 -66.01 -43.79 86.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -43.19 88.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 108.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 84.13 -48.67 4.09 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.1 m -42.39 -29.67 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.668 HD21 HG11 ' A' ' 19' ' ' VAL . 20.4 mt -76.93 98.82 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -96.15 149.09 22.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.0 mm -58.93 116.83 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.9 24.29 25.58 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.455 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 41.4 p-10 -49.58 174.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.405 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -123.96 70.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.646 ' HA ' HD13 ' A' ' 103' ' ' ILE . 14.1 p -66.69 121.24 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.428 ' SD ' ' CB ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -87.39 -20.87 26.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 76' ' ' ILE . . . -161.59 144.75 12.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.428 ' HB ' HD12 ' A' ' 89' ' ' LEU . 46.7 mt -113.61 104.15 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.482 ' ND2' HG23 ' A' ' 99' ' ' VAL . 1.2 m-80 68.7 23.66 7.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.66 -28.02 17.24 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.519 ' CD1' ' N ' ' A' ' 76' ' ' ILE . 1.2 mp -63.15 124.62 84.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.569 0.805 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.57 2.87 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 78' ' ' THR . 14.4 t -53.48 99.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 178.12 49.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.535 ' HA ' HG21 ' A' ' 42' ' ' THR . 14.9 t70 -179.75 -48.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.63 177.47 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.056 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 p -88.14 161.94 17.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.582 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -58.12 -28.88 65.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.54 -38.67 87.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -48.88 -62.87 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.45 -57.72 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -47.34 -44.9 24.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 85' ' ' GLU . 0.4 OUTLIER -63.93 -43.76 94.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.428 HD12 ' HB ' ' A' ' 73' ' ' ILE . 7.5 mt -49.14 -29.54 5.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.949 ' CD2' HG21 ' A' ' 99' ' ' VAL . 21.4 mt -86.53 -59.03 2.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.9 mtp85 -39.84 -57.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.5 -44.51 93.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.0 -24.77 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 t -62.26 -13.62 30.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.5 mt -66.68 -60.82 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 98' ' ' LYS . 10.2 t -75.35 -5.99 47.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.97 23.01 12.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.415 ' H ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -148.08 141.51 25.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.949 HG21 ' CD2' ' A' ' 90' ' ' LEU . 12.1 p -140.48 141.59 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 74' ' ' ASN . 93.3 m -114.9 127.27 55.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.8 mt -116.52 120.42 38.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 29.6 tt0 -84.2 104.63 14.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.646 HD13 ' HA ' ' A' ' 70' ' ' VAL . 39.4 mm -105.54 167.3 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.533 ' N ' HG22 ' A' ' 103' ' ' ILE . 3.3 tt0 -146.02 128.15 15.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 8.2 p90 -127.95 176.65 7.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.153 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -93.35 143.42 26.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.497 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 73.7 t -110.08 148.91 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -78.21 139.75 38.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -104.31 159.39 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.3 m -60.28 101.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.047 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.3 m -71.82 145.8 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.622 HG23 ' HD2' ' A' ' 113' ' ' PRO . 52.0 mt -49.99 139.89 16.89 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.622 ' HD2' HG23 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.03 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.5 t -60.61 102.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.961 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.79 149.84 22.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -149.0 132.31 4.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.107 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.74 156.94 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.76 . . . . 0.0 110.007 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -137.47 81.34 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.28 9.85 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.3 p -113.61 123.85 50.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.2 p -163.23 94.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.449 1.093 . . . . 0.0 110.947 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -160.79 121.4 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -85.8 142.81 28.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.98 -163.0 1.6 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -143.55 166.86 23.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 109.96 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 p -163.45 145.16 9.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.34 55.04 0.54 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.45 150.45 38.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.28 63.77 0.24 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.718 ' O ' HG12 ' A' ' 11' ' ' VAL . 4.8 mt-30 -49.37 178.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 0.0 110.349 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.718 HG12 ' O ' ' A' ' 10' ' ' GLN . 7.8 p 50.52 174.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.624 ' H ' HG22 ' A' ' 11' ' ' VAL . 8.4 p -94.12 161.49 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -98.39 164.96 12.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.566 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -130.85 143.03 50.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.374 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.471 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 24.6 mt-10 -120.25 153.74 35.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -108.57 150.67 27.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 t -128.64 152.22 48.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.406 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -104.25 125.24 50.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.69 HG11 HD21 ' A' ' 64' ' ' LEU . 4.1 t -115.12 120.97 66.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 20' ' ' VAL . 6.4 p -106.57 115.24 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.652 HD11 HD11 ' A' ' 64' ' ' LEU . 31.2 mt -114.02 138.99 49.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.2 m -104.06 108.87 20.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.68 97.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.464 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.84 169.56 0.21 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -74.99 -13.33 21.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.549 HG12 HG23 ' A' ' 27' ' ' THR . 17.9 t -129.54 -60.41 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.561 ' O ' ' C ' ' A' ' 28' ' ' GLY . 24.4 p -99.02 69.63 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.59 -90.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 26.3 m-85 -114.72 -22.44 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.08 70.42 0.7 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.429 ' CD1' HD21 ' A' ' 101' ' ' LEU . 14.9 mt -134.64 143.36 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -122.63 135.64 54.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.484 HD13 ' HB1' ' A' ' 86' ' ' ALA . 2.3 mt -113.52 156.85 22.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.42 159.82 23.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.45 -148.5 6.42 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.49 170.64 19.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.771 . . . . 0.0 110.052 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.3 m -88.15 -33.78 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.152 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -86.75 130.14 34.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 42' ' ' THR . . . -169.53 -172.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.0 m -116.28 -84.22 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.417 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.77 -47.51 5.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.254 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.684 HG23 ' H ' ' A' ' 44' ' ' SER . 5.8 t -126.3 -136.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.517 ' N ' ' OG1' ' A' ' 42' ' ' THR . 11.4 tp -98.75 8.98 44.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.684 ' H ' HG23 ' A' ' 42' ' ' THR . 0.5 OUTLIER 46.35 27.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.48 161.01 0.24 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.16 42.46 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.774 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.447 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.4 Cg_endo -74.98 108.96 2.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 68' ' ' ASP . 71.9 mt -81.73 131.99 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.1 mt -59.1 96.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -57.72 -53.21 60.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.515 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 89.6 t80 -151.12 157.73 43.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.448 HG22 ' HB2' ' A' ' 59' ' ' GLU . 35.6 mt -123.12 111.05 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.27 151.75 2.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.97 159.34 17.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.21 19.05 4.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.35 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.25 163.37 18.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.502 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.2 Cg_endo -75.02 -19.51 17.72 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.803 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.617 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -75.24 -25.84 58.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 109.239 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.448 ' HB2' HG22 ' A' ' 52' ' ' ILE . 5.8 tp10 -93.99 -23.27 18.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -65.98 -42.8 89.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.408 ' HB3' HG22 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -59.1 -43.55 91.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 108.256 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 84.77 -45.53 3.53 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.408 HG22 ' HB3' ' A' ' 61' ' ' CYS . 15.1 m -44.22 -27.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.76 . . . . 0.0 109.297 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.69 HD21 HG11 ' A' ' 19' ' ' VAL . 18.9 mt -80.92 105.81 12.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -98.33 161.54 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.515 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.6 mm -72.55 119.59 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.84 39.68 13.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.431 1.082 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.752 ' O ' HD23 ' A' ' 48' ' ' LEU . 4.8 t0 -77.89 -178.77 5.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 0.769 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.472 ' CZ ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -116.77 89.5 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.617 HG22 ' O ' ' A' ' 72' ' ' ALA . 8.6 p -87.31 112.95 23.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.2 mtp -83.56 -9.97 58.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.915 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -163.66 150.84 12.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 73' ' ' ILE . 24.3 mt -113.41 2.08 8.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 p30 170.18 43.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.04 -41.29 2.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 2.5 mt -64.5 140.36 97.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 0.731 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.0 107.84 2.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.915 HG23 ' HA ' ' A' ' 72' ' ' ALA . 48.6 p -74.4 75.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -178.64 52.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -156.58 -55.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -173.37 2.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.8 p -80.47 162.08 24.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -58.74 -31.98 68.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -63.22 -35.0 78.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.71 -53.87 41.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 110.353 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.484 ' HB1' HD13 ' A' ' 33' ' ' LEU . . . -49.38 -56.37 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -51.93 -34.42 41.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -70.34 -38.6 74.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.1 mt -52.27 -44.69 65.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.29 -43.16 82.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -30.22 71.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.17 -47.06 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 95' ' ' ILE . 75.4 m -42.08 -41.08 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.047 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.3 t -42.25 -29.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.409 ' N ' ' C ' ' A' ' 93' ' ' SER . 17.5 mt -52.13 -68.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.9 t -71.98 -5.75 37.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.02 25.53 15.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -149.09 153.3 37.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.582 HG22 ' CD1' ' A' ' 101' ' ' LEU . 7.5 p -145.31 152.19 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.9 m -120.56 97.32 5.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.421 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.582 ' CD1' HG22 ' A' ' 99' ' ' VAL . 2.8 mp -93.1 112.04 23.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 1.8 tt0 -90.25 106.55 18.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 104' ' ' GLU . 10.6 mm -98.97 163.65 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.472 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.7 tt0 -132.89 133.75 43.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.492 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.8 p90 -134.15 176.03 8.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.23 158.98 16.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 55.5 t -130.34 142.02 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.3 142.76 54.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -95.97 167.32 11.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 75.1 m -107.91 98.25 7.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.9 t -127.69 136.68 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 pt -58.89 145.34 79.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 91.01 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.3 t -73.49 -63.95 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.6 m -61.6 153.72 27.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.38 169.93 12.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 64.9 m 62.41 155.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 109.986 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 160.74 149.34 5.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.37 21.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 92.4 p -99.28 150.32 22.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.7 p -136.84 151.15 48.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.58 152.65 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 109.966 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -103.91 -56.46 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.75 148.0 39.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.448 ' OG ' ' N ' ' A' ' 6' ' ' SER . 15.7 p -91.92 -64.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.03 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.448 ' N ' ' OG ' ' A' ' 5' ' ' SER . 7.8 t -173.6 169.99 4.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.77 -55.74 3.23 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 62.49 139.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.85 103.71 0.17 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.34 133.17 35.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.249 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.518 HG22 ' H ' ' A' ' 12' ' ' VAL . 10.9 p -163.15 170.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.518 ' H ' HG22 ' A' ' 11' ' ' VAL . 9.3 p -85.57 163.05 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -112.14 163.58 14.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.611 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.28 139.42 49.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -119.72 150.82 39.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -102.73 148.15 25.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.454 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 t -127.18 152.45 47.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -116.84 115.73 26.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.74 HG11 HD21 ' A' ' 64' ' ' LEU . 3.8 p -95.7 137.91 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.459 HG23 ' HG2' ' A' ' 98' ' ' LYS . 14.8 p -114.37 114.42 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.906 HD11 HD11 ' A' ' 64' ' ' LEU . 16.1 mt -117.3 133.51 55.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.1 m -98.33 107.02 19.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 110.369 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.8 98.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.451 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.8 170.81 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.01 -14.98 20.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.539 HG12 HG23 ' A' ' 27' ' ' THR . 14.2 t -129.29 -61.27 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.584 ' O ' ' C ' ' A' ' 28' ' ' GLY . 22.3 p -96.76 68.73 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.445 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -20.22 -89.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -108.58 -26.29 10.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.4 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 52.34 67.1 2.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.455 HD11 HD13 ' A' ' 21' ' ' LEU . 14.0 mt -136.55 149.18 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.6 mm100 -126.94 142.45 51.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.1 159.72 23.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.523 ' OE1' HD12 ' A' ' 48' ' ' LEU . 1.5 pt20 -105.17 137.8 42.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -116.12 -127.41 4.1 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.2 t -147.03 159.8 43.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 0.729 . . . . 0.0 110.022 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.531 HG23 ' H ' ' A' ' 38' ' ' PHE . 12.7 m -42.05 -56.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.531 ' H ' HG23 ' A' ' 37' ' ' VAL . 40.4 m-85 -133.85 6.16 3.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 38' ' ' PHE . . . 39.19 88.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.5 m -43.38 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -124.75 -43.44 2.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.345 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.2 p -135.95 -133.44 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.432 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.417 ' C ' ' N ' ' A' ' 45' ' ' SER . 26.1 tp -130.79 5.78 4.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m 39.07 31.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER 169.55 167.62 0.17 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.68 38.33 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 118.17 5.17 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.788 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.523 HD12 ' OE1' ' A' ' 34' ' ' GLN . 9.5 mt -91.92 147.26 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.466 HD12 ' OD2' ' A' ' 68' ' ' ASP . 55.0 mt -65.06 95.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' GLN . 5.9 t -57.03 -57.56 12.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 58.7 t80 -144.45 157.54 44.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 33.9 mt -124.49 110.31 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.423 ' HA ' ' CE2' ' A' ' 51' ' ' TYR . 1.9 mp0 -50.24 156.09 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -90.52 167.25 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 48.23 24.7 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -104.01 165.1 14.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -20.58 16.91 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.89 -26.09 60.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -93.98 -24.56 17.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -53.91 51.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.2 m -60.49 -43.29 97.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 108.28 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.58 -5.94 59.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.1 m -69.81 -28.83 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.805 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.906 HD11 HD11 ' A' ' 21' ' ' LEU . 24.5 mt -81.56 106.23 13.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -96.62 150.29 20.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.6 mm -60.4 122.34 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.58 52.44 5.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.052 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.469 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 65.9 m-20 -85.23 -176.72 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.8 90.52 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.595 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.6 p -82.23 107.53 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 102' ' ' GLU . 1.4 mtp -74.34 -30.22 61.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -155.83 163.56 39.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.511 ' HB ' HD12 ' A' ' 89' ' ' LEU . 50.9 mt -137.71 101.29 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 100' ' ' THR . 0.2 OUTLIER 73.47 12.55 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.37 -19.08 24.83 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.434 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 12.3 mm -65.47 130.33 94.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.551 0.794 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.2 Cg_endo -75.0 106.0 2.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.764 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 p -92.84 90.16 6.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -175.78 39.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -179.71 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.92 -176.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.974 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.2 p -103.88 150.22 24.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -45.75 -35.15 4.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.57 -36.81 76.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.526 ' OE2' HD21 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -55.01 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.27 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' GLU . . . -40.33 -49.67 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -55.06 -47.35 74.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -57.59 -44.02 85.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.338 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.526 HD21 ' OE2' ' A' ' 85' ' ' GLU . 13.6 mt -47.55 -58.56 4.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.759 ' CD2' HG21 ' A' ' 99' ' ' VAL . 17.1 mt -49.54 -56.87 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -25.22 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.753 ' OD1' HD12 ' A' ' 95' ' ' ILE . 8.6 t0 -88.36 -47.41 8.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.6 m -51.19 -25.44 5.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.5 t -58.39 -34.0 70.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.753 HD12 ' OD1' ' A' ' 92' ' ' ASP . 16.6 mt -48.83 -71.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.412 ' N ' HG22 ' A' ' 95' ' ' ILE . 5.4 t -64.66 -11.67 37.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.81 25.48 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.459 ' HG2' HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -150.63 135.73 17.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.759 HG21 ' CD2' ' A' ' 90' ' ' LEU . 8.9 p -124.06 143.74 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 74' ' ' ASN . 1.0 OUTLIER -118.82 107.34 13.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.611 ' HB2' HG12 ' A' ' 19' ' ' VAL . 1.3 mm? -103.07 121.43 42.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 71' ' ' MET . 31.8 tt0 -92.34 106.93 18.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 104' ' ' GLU . 15.3 mm -102.01 167.2 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.515 ' N ' HG22 ' A' ' 103' ' ' ILE . 3.0 tt0 -144.32 126.62 15.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 5.4 p90 -127.58 179.22 5.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.72 143.49 26.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 38.2 t -120.39 146.1 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -77.25 135.12 38.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.51 164.53 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.24 98.28 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.1 p -128.09 135.32 63.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.4 pt -55.87 109.3 1.55 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 108.62 2.76 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.88 127.04 45.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.2 m -173.87 107.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -94.69 -53.02 1.73 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.42 170.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 141.02 124.55 2.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.53 36.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.519 1.799 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.0 m -73.01 167.21 21.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.2 t -148.7 156.07 41.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.957 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.21 169.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 t 62.77 152.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.967 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.16 -157.4 7.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.435 1.085 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -160.16 169.74 22.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 109.943 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.2 p -177.1 137.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.23 -168.4 35.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.77 177.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.39 -51.11 1.26 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.421 1.076 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -50.25 136.24 20.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 0.764 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.522 HG22 ' N ' ' A' ' 12' ' ' VAL . 13.2 p -170.12 170.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.522 ' N ' HG22 ' A' ' 11' ' ' VAL . 7.8 p -99.06 163.25 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -110.62 164.01 13.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.592 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.09 143.31 51.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 32.5 mt-10 -115.86 152.2 33.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 104' ' ' GLU . 0.8 OUTLIER -118.41 140.27 50.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.445 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.0 t -117.56 150.81 38.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.36 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.699 ' HG3' HG23 ' A' ' 100' ' ' THR . 17.5 tt0 -109.14 116.46 31.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.954 HG11 HD11 ' A' ' 64' ' ' LEU . 5.6 t -104.35 115.64 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.472 ' C ' HD13 ' A' ' 21' ' ' LEU . 66.1 t -104.22 99.74 9.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.725 HD11 HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -95.24 101.69 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' ASP . 2.0 m -66.7 100.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 22' ' ' THR . . . -35.03 97.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.484 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -59.85 166.36 3.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -74.98 0.67 8.61 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.618 HG12 HG23 ' A' ' 27' ' ' THR . 17.7 t -142.35 -57.56 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.618 HG23 HG12 ' A' ' 26' ' ' VAL . 21.1 p -104.65 70.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.413 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -25.75 -84.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.799 ' CD1' HG12 ' A' ' 99' ' ' VAL . 16.4 m-85 -115.64 -23.5 8.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.423 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 51.23 60.21 7.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.679 HD11 HD23 ' A' ' 21' ' ' LEU . 13.9 mt -129.75 145.96 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' SER . 2.1 mm100 -127.3 138.43 53.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mt -114.29 158.21 21.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.523 ' OE1' HD12 ' A' ' 48' ' ' LEU . 5.1 pt20 -106.52 147.39 29.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.1 174.99 21.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 p -132.35 134.84 45.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.963 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.6 t -54.69 -57.96 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -75.14 92.22 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -164.33 106.04 0.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.5 m -49.95 -84.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.702 ' O ' HG23 ' A' ' 42' ' ' THR . 1.9 mt-10 -146.13 27.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 41' ' ' GLU . 1.6 p -160.54 117.42 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.5 mt -82.18 6.18 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 38.73 35.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 p -177.27 154.39 1.1 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.997 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.01 148.2 34.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.79 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.883 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.3 Cg_endo -75.02 126.88 10.25 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.523 HD12 ' OE1' ' A' ' 34' ' ' GLN . 2.5 mt -93.24 148.12 22.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.5 HD12 ' OD2' ' A' ' 68' ' ' ASP . 51.8 mt -69.61 98.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLN . 27.0 t -58.09 -55.63 32.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 87.0 t80 -143.58 154.79 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.1 mt -119.84 107.71 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.423 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -50.37 151.95 2.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 110.263 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.03 164.43 14.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 t70 53.59 20.92 2.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 p -104.4 166.08 12.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.489 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.03 -23.17 14.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -70.98 -25.04 62.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -96.76 -35.28 11.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.402 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 8.8 mtt-85 -51.33 -44.19 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.6 m -61.07 -41.7 97.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.23 22.78 72.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 m -103.75 -18.28 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.954 HD11 HG11 ' A' ' 19' ' ' VAL . 6.9 mt -92.53 124.66 36.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -107.22 149.02 28.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.1 mm -60.57 117.6 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.39 32.23 7.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.5 ' OD2' HD12 ' A' ' 49' ' ' ILE . 87.4 m-20 -63.66 -177.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -128.32 80.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 47' ' ' PRO . 8.9 p -67.69 115.37 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 39.0 mmm -89.4 -19.43 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -164.99 164.18 20.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.638 ' HB ' HD12 ' A' ' 89' ' ' LEU . 23.5 mt -137.05 106.1 4.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.45 5.57 4.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.23 -19.94 11.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.648 ' N ' HD12 ' A' ' 76' ' ' ILE . 1.8 mp -68.75 132.67 90.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 111.04 3.23 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 p -88.58 83.84 6.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 110.416 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -159.74 26.44 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 172.7 94.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 172.83 -173.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 110.008 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 p -100.49 148.8 24.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 2.1 t80 -52.49 -20.33 2.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.47 -34.36 60.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -49.66 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -47.74 -54.57 11.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -50.23 -31.51 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.38 -36.09 60.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.638 HD12 ' HB ' ' A' ' 73' ' ' ILE . 10.3 mt -55.08 -50.1 70.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.508 HD22 HG21 ' A' ' 99' ' ' VAL . 14.1 mt -55.48 -56.91 14.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.17 -29.92 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -84.34 -38.14 20.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' LEU . 70.8 m -56.44 -27.83 57.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.0 t -54.76 -19.38 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.961 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 96' ' ' THR . 21.2 mt -59.62 -71.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.447 ' N ' HG22 ' A' ' 95' ' ' ILE . 9.4 t -62.03 -13.73 28.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.45 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 22' ' ' THR . 0.1 OUTLIER 78.53 25.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.028 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.8 ptmt -163.77 155.16 16.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.799 HG12 ' CD1' ' A' ' 29' ' ' PHE . 7.9 p -131.35 138.55 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.699 HG23 ' HG3' ' A' ' 18' ' ' GLU . 11.2 m -106.96 101.74 11.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.634 ' CD2' HG22 ' A' ' 99' ' ' VAL . 2.1 mm? -89.97 117.03 28.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -87.32 106.8 18.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 16' ' ' THR . 9.7 mm -106.68 163.27 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.484 ' HB2' HG22 ' A' ' 16' ' ' THR . 5.4 tt0 -145.19 122.93 11.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 3.6 p90 -121.02 175.87 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -101.63 152.0 21.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.8 t -117.62 144.72 24.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.11 114.16 20.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.62 166.37 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.0 m -90.2 107.21 18.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.986 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.0 p -145.78 153.23 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 14.3 pt -60.56 150.45 74.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 112' ' ' ILE . 18.3 Cg_endo -74.99 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 t 74.02 116.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.49 141.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.2 92.15 0.74 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 118' ' ' GLY . 10.8 p -177.97 117.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 117' ' ' SER . . . -37.56 98.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.82 20.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.9 t -62.89 101.03 0.23 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.973 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.4 p -86.53 153.18 22.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -69.29 145.07 53.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -128.63 93.98 3.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.037 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.48 -62.08 3.13 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.3 91.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.995 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -110.44 91.55 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.055 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.11 -83.35 0.35 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.09 171.87 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.01 -118.53 0.96 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.735 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.0 OUTLIER 178.98 -152.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 110.315 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.735 HG12 ' O ' ' A' ' 10' ' ' GLN . 7.1 p 50.72 174.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.619 ' H ' HG22 ' A' ' 11' ' ' VAL . 9.1 p -116.77 162.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -103.55 165.89 10.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.589 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -131.79 143.32 50.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.406 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 15.8 mt-10 -116.44 155.05 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.9 OUTLIER -113.87 145.83 40.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.402 HG22 ' HB ' ' A' ' 103' ' ' ILE . 4.3 t -120.32 156.03 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -115.66 113.11 23.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.632 HG21 HD21 ' A' ' 64' ' ' LEU . 6.6 t -100.45 114.45 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.486 HG13 ' CG ' ' A' ' 98' ' ' LYS . 25.1 t -104.75 101.62 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.742 HD11 ' CD1' ' A' ' 64' ' ' LEU . 25.2 mt -100.99 142.52 32.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 m -104.92 109.81 21.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.78 100.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.435 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -57.56 163.84 3.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 3.45 5.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.618 HG23 ' H ' ' A' ' 27' ' ' THR . 4.9 m -143.13 -60.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.618 ' H ' HG23 ' A' ' 26' ' ' VAL . 5.2 p -103.83 69.5 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.66 -88.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -115.13 -27.6 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.94 56.12 10.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.694 HD11 ' CD1' ' A' ' 21' ' ' LEU . 12.2 mt -122.97 146.06 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' SER . 2.1 mt-30 -128.29 139.93 52.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.532 HD22 ' HB2' ' A' ' 47' ' ' PRO . 76.2 mt -110.27 158.33 18.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -106.07 168.83 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.81 -161.41 9.97 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -153.03 159.84 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.4 t -85.64 -54.21 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -91.14 132.08 36.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 42' ' ' THR . . . -170.2 -168.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -115.49 -88.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.388 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -84.26 -46.23 12.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.578 HG23 ' N ' ' A' ' 43' ' ' LEU . 6.7 t -129.05 -132.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.44 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.578 ' N ' HG23 ' A' ' 42' ' ' THR . 4.2 mt -90.33 23.74 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER 38.58 32.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.975 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER 173.16 163.78 0.28 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.37 35.25 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.532 ' HB2' HD22 ' A' ' 33' ' ' LEU . 18.3 Cg_endo -75.05 148.3 34.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 3.5 mt -132.33 127.31 35.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.454 HG21 HD11 ' A' ' 52' ' ' ILE . 24.8 mt -41.97 104.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLN . 11.8 t -65.05 -54.62 27.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.517 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 79.2 t80 -142.27 160.43 40.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.494 HD13 ' O ' ' A' ' 64' ' ' LEU . 44.4 mt -131.29 112.32 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.29 154.43 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.03 162.89 15.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 49.67 30.83 3.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.74 168.3 7.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.495 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.2 Cg_endo -75.06 -18.85 18.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.82 -27.92 44.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -96.65 -11.31 25.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.406 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 5.4 mtt85 -77.31 -40.36 44.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.9 p -59.66 -41.6 90.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 108.301 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.92 -2.61 63.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -87.29 -30.17 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.742 ' CD1' HD11 ' A' ' 21' ' ' LEU . 66.0 mt -80.1 97.76 6.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -93.81 149.18 21.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.517 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.7 mm -57.53 113.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.67 29.62 7.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.579 ' HB3' HD12 ' A' ' 103' ' ' ILE . 8.8 m-20 -54.06 -173.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.589 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -126.67 60.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.691 ' O ' HG13 ' A' ' 70' ' ' VAL . 8.4 p -60.11 89.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' GLU . 50.0 mmm -68.37 -30.39 69.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.885 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -153.36 160.79 42.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.524 HG13 HG21 ' A' ' 78' ' ' THR . 84.5 mt -131.66 103.3 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.72 4.56 4.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.62 -14.22 20.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.606 HG23 ' HD2' ' A' ' 77' ' ' PRO . 3.4 mt -71.03 140.53 85.89 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.552 0.796 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.3 Cg_endo -75.01 103.23 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.885 HG23 ' HA ' ' A' ' 72' ' ' ALA . 68.4 p -71.95 71.49 0.8 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.422 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' HG2' HG21 ' A' ' 42' ' ' THR . 4.6 tt0 178.79 47.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 t0 177.34 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.753 ' C ' HG23 ' A' ' 82' ' ' THR . 51.1 m -72.2 -8.15 53.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.753 HG23 ' C ' ' A' ' 81' ' ' SER . 0.8 OUTLIER 67.03 143.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.416 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.453 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -44.4 -32.84 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.49 -39.97 61.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.483 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 0.2 OUTLIER -76.79 -54.89 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.498 ' HB1' ' CD1' ' A' ' 33' ' ' LEU . . . -40.75 -48.62 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.34 -51.85 67.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -56.4 -44.73 80.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.3 mt -40.54 -36.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.765 ' CD2' HG21 ' A' ' 99' ' ' VAL . 16.3 mt -71.06 -61.26 1.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -42.58 -27.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.442 ' O ' HD12 ' A' ' 95' ' ' ILE . 14.3 t70 -84.6 -47.58 10.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -44.4 -29.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.33 -41.75 39.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.093 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 92' ' ' ASP . 3.3 mt -44.53 -73.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.454 HG23 ' H ' ' A' ' 98' ' ' LYS . 11.2 t -64.43 -11.07 29.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.428 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 m 65.05 25.87 12.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.486 ' CG ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -148.24 146.79 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.765 HG21 ' CD2' ' A' ' 90' ' ' LEU . 14.9 p -140.31 136.02 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.9 m -108.49 104.15 13.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.9 mt -95.22 111.18 23.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' MET . 3.3 tt0 -86.53 112.96 22.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.579 HD12 ' HB3' ' A' ' 68' ' ' ASP . 1.3 mm -110.99 167.67 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.467 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.3 tt0 -142.31 123.66 14.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.503 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.6 p90 -121.57 179.86 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -104.6 152.73 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.411 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 21.5 t -131.24 141.65 45.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.68 153.06 44.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -101.77 160.26 14.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.56 111.53 23.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.06 123.43 53.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.5 pt -52.68 138.22 42.37 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 168.88 23.83 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.819 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.94 144.6 48.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.5 t -101.96 135.73 43.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 168.24 138.1 2.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.563 1.164 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.35 159.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 0.738 . . . . 0.0 109.999 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -153.87 100.54 0.2 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.99 21.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.566 1.824 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.3 p -151.52 134.03 15.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.02 86.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.979 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -162.59 163.14 27.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.33 147.59 44.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.029 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.37 141.51 4.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.86 113.74 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.0 p -142.34 132.49 24.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.2 168.3 3.25 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.47 115.1 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.42 -135.67 6.54 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.723 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -65.4 -160.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.723 HG12 ' O ' ' A' ' 10' ' ' GLN . 7.6 p 50.83 173.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.681 HG23 ' CG ' ' A' ' 109' ' ' GLU . 9.3 p -96.07 163.05 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.542 ' CE1' ' HB ' ' A' ' 107' ' ' VAL . 44.9 p-80 -102.72 165.65 10.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.69 139.6 49.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 14.5 mt-10 -110.38 156.55 20.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -116.85 145.35 43.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.475 HG22 ' HB ' ' A' ' 103' ' ' ILE . 5.0 t -119.01 153.8 34.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.608 ' HG3' HG23 ' A' ' 100' ' ' THR . 15.6 tt0 -115.34 113.26 23.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.628 HG21 HD21 ' A' ' 64' ' ' LEU . 8.5 t -101.56 127.0 55.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.7 t -113.89 108.68 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.765 HD11 ' CD1' ' A' ' 64' ' ' LEU . 16.3 mt -108.32 142.93 37.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' ASP . 7.5 m -105.01 108.83 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -43.03 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.467 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.81 170.1 0.2 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -75.0 -13.31 21.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.542 HG12 HG23 ' A' ' 27' ' ' THR . 14.4 t -130.72 -61.49 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.555 ' O ' ' C ' ' A' ' 28' ' ' GLY . 19.9 p -97.05 69.5 2.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.18 -85.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.493 1.121 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.433 ' CE2' ' HB2' ' A' ' 93' ' ' SER . 14.1 m-85 -116.09 -27.43 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.11 62.71 4.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.634 HD11 ' HB2' ' A' ' 58' ' ' ALA . 5.5 mt -131.63 145.35 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' SER . 2.7 mm100 -125.44 145.16 50.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mt -117.48 163.23 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.22 131.94 53.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.19 -136.67 2.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t -135.61 147.71 48.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 109.963 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.25 -21.79 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.47 23.72 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.3 -174.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.1 m -93.2 -73.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -111.48 -59.09 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.8 p -119.32 -133.98 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' SER . 19.9 tp -125.76 6.8 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 38.71 30.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' LEU . 51.8 p -179.43 153.3 0.69 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.985 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.04 147.11 33.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.9 150.72 39.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.052 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.495 HD22 ' O ' ' A' ' 68' ' ' ASP . 12.2 mt -136.37 135.45 38.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.881 HD12 ' OD2' ' A' ' 68' ' ' ASP . 22.8 mt -54.7 98.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 32' ' ' GLN . 18.2 t -58.31 -57.68 11.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.517 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 85.1 t80 -137.66 159.92 40.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.43 HG22 ' HB2' ' A' ' 59' ' ' GLU . 60.3 mt -128.62 109.25 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.07 149.33 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.79 159.55 19.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 t0 56.7 18.83 3.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.15 166.31 13.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.486 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.03 -22.73 14.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.771 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.634 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -73.32 -27.86 61.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.43 ' HB2' HG22 ' A' ' 52' ' ' ILE . 5.3 tp10 -96.33 -12.03 25.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -64.02 -60.94 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.405 ' HB2' HG22 ' A' ' 63' ' ' VAL . 37.2 m -60.18 -43.47 95.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.258 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.47 -22.23 17.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.405 HG22 ' HB2' ' A' ' 61' ' ' CYS . 30.4 m -48.76 -29.21 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.765 ' CD1' HD11 ' A' ' 21' ' ' LEU . 39.4 mt -86.81 99.95 12.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.461 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 4.8 mt-30 -94.26 145.57 24.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.517 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.4 mm -50.75 114.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.95 30.03 8.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.881 ' OD2' HD12 ' A' ' 49' ' ' ILE . 74.2 m-20 -53.02 -177.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.514 ' H ' HG23 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -118.22 54.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.861 ' HA ' HD13 ' A' ' 103' ' ' ILE . 2.7 p -55.41 91.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 102' ' ' GLU . 49.4 mmm -73.73 -33.35 64.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.935 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -147.59 178.07 8.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 97.2 mt -142.06 97.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.07 9.3 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.84 -12.58 20.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.668 HG21 HD11 ' A' ' 89' ' ' LEU . 7.9 mm -72.05 132.42 84.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.2 Cg_endo -74.98 100.05 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.935 HG23 ' HA ' ' A' ' 72' ' ' ALA . 60.8 p -65.97 73.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.9 OUTLIER -171.36 -44.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.68 -47.06 87.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.3 m -79.28 -156.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.9 p -119.24 160.7 21.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -47.96 -27.48 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -69.53 -50.23 46.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.474 ' OE2' HD21 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -43.65 -60.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.41 -50.49 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -56.92 -49.77 74.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -43.05 81.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.668 HD11 HG21 ' A' ' 76' ' ' ILE . 10.3 mt -45.85 -52.25 11.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.78 ' CD2' HG21 ' A' ' 99' ' ' VAL . 14.7 mt -59.02 -59.13 5.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.99 -40.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -77.13 -43.59 33.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' LEU . 6.7 m -44.8 -36.81 3.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t -48.16 -27.01 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 96' ' ' THR . 17.6 mt -53.12 -73.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.479 HG23 ' H ' ' A' ' 98' ' ' LYS . 9.6 t -65.18 -12.41 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 0.3 OUTLIER 68.77 24.48 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.015 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.479 ' H ' HG23 ' A' ' 96' ' ' THR . 3.9 tttt -148.74 144.87 27.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.78 HG21 ' CD2' ' A' ' 90' ' ' LEU . 7.9 p -141.7 143.06 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.608 HG23 ' HG3' ' A' ' 18' ' ' GLU . 10.7 m -114.56 98.14 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.651 HD22 HG22 ' A' ' 99' ' ' VAL . 3.8 mm? -86.81 119.29 26.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' MET . 11.6 tt0 -95.41 119.0 33.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.861 HD13 ' HA ' ' A' ' 70' ' ' VAL . 5.6 mm -115.12 167.35 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.446 ' N ' HG22 ' A' ' 103' ' ' ILE . 3.7 tt0 -141.7 124.52 16.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 1.2 p90 -121.14 -179.55 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -106.89 151.0 25.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.542 ' HB ' ' CE1' ' A' ' 13' ' ' HIS . 2.5 t -116.46 142.6 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.49 149.84 48.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.241 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.681 ' CG ' HG23 ' A' ' 12' ' ' VAL . 7.9 mt-10 -104.82 157.29 17.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.7 m -93.64 104.73 16.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.04 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.1 p -146.38 141.56 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.89 106.34 0.62 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 143.52 29.31 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.1 p -89.23 171.92 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.89 165.54 13.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 176.17 -89.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.5 166.17 24.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 157.94 79.4 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 164.73 32.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.548 1.815 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.8 p -143.93 119.75 10.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.3 p 41.36 90.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.539 1.15 . . . . 0.0 110.961 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.4 p -42.78 131.89 3.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 0.803 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.68 -63.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.4 106.92 0.6 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.45 139.76 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 t -90.46 81.16 5.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.51 -86.59 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.24 89.79 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.92 -135.6 5.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.33 20.14 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.5 t -133.21 154.23 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.404 HG21 ' O ' ' A' ' 107' ' ' VAL . 8.5 p -91.14 163.17 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.407 ' NE2' ' HB ' ' A' ' 107' ' ' VAL . 56.3 p-80 -95.49 164.13 12.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.622 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -129.43 146.92 51.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.536 ' HG3' HG21 ' A' ' 107' ' ' VAL . 4.8 mt-10 -120.43 148.89 43.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.5 OUTLIER -106.96 148.84 28.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 t -136.42 141.0 43.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.831 ' HG3' HG23 ' A' ' 100' ' ' THR . 3.9 tt0 -105.77 124.06 48.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 101' ' ' LEU . 9.2 p -99.72 134.63 38.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.467 ' CG1' ' HE2' ' A' ' 98' ' ' LYS . 53.6 t -115.34 99.24 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 mt -101.99 139.55 37.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.7 m -102.17 109.05 20.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.373 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.07 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.449 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -50.48 167.77 0.25 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.0 -10.78 21.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.538 HG12 HG23 ' A' ' 27' ' ' THR . 20.8 t -131.37 -60.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.564 ' O ' ' C ' ' A' ' 28' ' ' GLY . 9.2 p -100.68 70.27 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -21.43 -85.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.498 ' CD2' HD22 ' A' ' 90' ' ' LEU . 14.9 m-85 -113.61 -38.63 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.447 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 66.57 59.99 6.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 mt -129.43 141.58 46.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -121.19 132.19 54.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.819 HD12 ' HB2' ' A' ' 47' ' ' PRO . 1.2 mm? -99.68 157.93 16.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.457 ' HG2' ' CB ' ' A' ' 48' ' ' LEU . 2.3 pp0? -110.86 158.55 18.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.98 -104.61 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.4 m -111.04 149.56 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 109.955 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.8 t -63.6 -60.12 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -134.71 32.62 3.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 57.81 96.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.2 m -106.52 -42.15 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 174.08 -53.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.8 p -138.23 -134.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' SER . 17.7 tp -117.88 39.06 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.4 m -67.52 67.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.451 ' CB ' ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER 174.83 175.78 0.22 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.561 1.163 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 45' ' ' SER . 18.3 Cg_endo -75.01 144.05 29.77 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.527 1.804 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.819 ' HB2' HD12 ' A' ' 33' ' ' LEU . 18.4 Cg_endo -75.0 72.92 4.49 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.465 1.771 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CB ' ' HG2' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -39.22 136.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.697 HG22 ' O ' ' A' ' 49' ' ' ILE . 10.6 mt -69.27 83.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' GLN . 30.7 t -39.78 -61.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.601 ' HA ' HD12 ' A' ' 66' ' ' ILE . 90.0 t80 -144.4 158.11 43.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.468 HG13 ' CG2' ' A' ' 49' ' ' ILE . 17.6 mt -121.11 109.66 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.447 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -50.04 153.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.262 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -89.51 169.3 11.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 47.3 25.02 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -107.27 164.09 15.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HA ' ' HB2' ' A' ' 60' ' ' ARG . 18.1 Cg_endo -75.06 -21.22 15.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.528 1.804 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.8 -25.21 62.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 62' ' ' GLY . 2.1 tp10 -96.42 -39.69 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 19.3 mtt180 -42.22 -53.05 4.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.1 m -66.75 -34.7 78.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 59.82 22.26 56.95 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.44 HG23 ' HG ' ' A' ' 64' ' ' LEU . 33.6 m -87.65 -10.31 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.481 0.754 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.44 ' HG ' HG23 ' A' ' 63' ' ' VAL . 1.2 mt -107.88 124.09 49.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -102.29 155.04 18.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 51' ' ' TYR . 21.2 mm -66.43 105.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 68' ' ' ASP . . . 110.07 22.13 6.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.495 ' CG ' HD12 ' A' ' 49' ' ' ILE . 34.5 p-10 -51.43 -177.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.439 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -138.8 66.49 1.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.53 HG13 ' HD2' ' A' ' 47' ' ' PRO . 8.4 p -64.45 115.68 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 102' ' ' GLU . 69.9 mmm -75.79 -24.7 55.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.574 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -160.05 158.67 30.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.788 HG13 HG21 ' A' ' 78' ' ' THR . 54.2 mt -126.72 111.84 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 100' ' ' THR . 0.2 OUTLIER 61.73 18.23 9.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 106.68 -16.35 40.47 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.138 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.444 HG21 HD11 ' A' ' 89' ' ' LEU . 21.1 mm -66.11 128.97 94.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.4 Cg_endo -74.93 76.04 3.49 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.769 . . . . 0.0 111.072 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.788 HG21 HG13 ' A' ' 73' ' ' ILE . 33.6 p -59.3 85.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.398 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' PRO . 7.7 pt-20 -179.71 53.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 171.21 -40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.9 m -59.17 -164.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.977 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 p -113.88 156.77 23.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -48.56 -24.1 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -74.0 -38.15 64.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -49.13 -67.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.95 -58.79 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -50.24 -39.21 44.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -67.52 -39.46 85.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.444 HD11 HG21 ' A' ' 76' ' ' ILE . 27.4 mt -52.8 -51.55 60.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.899 ' CD2' HG21 ' A' ' 99' ' ' VAL . 15.3 mt -54.54 -64.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.66 -54.36 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.62 -56.42 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.471 ' OG ' HG23 ' A' ' 99' ' ' VAL . 59.2 m -42.45 -40.87 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 p -43.81 -29.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.9 mt -50.81 -66.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.0 t -72.67 -3.77 27.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m 64.83 24.4 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.467 ' HE2' ' CG1' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -146.68 136.24 23.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.899 HG21 ' CD2' ' A' ' 90' ' ' LEU . 8.0 p -126.97 149.83 32.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.831 HG23 ' HG3' ' A' ' 18' ' ' GLU . 1.1 m -124.71 130.21 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.615 ' HB2' HG12 ' A' ' 19' ' ' VAL . 6.3 mt -125.87 120.1 29.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.3 tt0 -89.11 105.19 17.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 104' ' ' GLU . 4.5 mm -99.79 167.21 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.502 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.9 tt0 -143.91 123.52 13.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.486 ' CD1' ' O ' ' A' ' 15' ' ' GLU . 5.2 p90 -125.64 173.86 8.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -103.11 153.22 20.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.536 HG21 ' HG3' ' A' ' 15' ' ' GLU . 20.7 t -111.43 137.01 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.2 127.32 32.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.417 1.073 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.48 167.76 11.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.2 m -68.37 101.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 p -124.39 165.24 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.711 HG23 ' HD2' ' A' ' 113' ' ' PRO . 2.7 mp -71.0 142.31 87.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.711 ' HD2' HG23 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.03 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.43 95.17 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.75 156.73 46.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 110.046 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -132.9 151.35 19.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 78.8 p -167.24 117.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 110.003 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -173.15 75.99 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 139.24 23.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.69 -63.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.8 t -173.19 140.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.976 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.03 108.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 110.029 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.88 136.82 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.013 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.71 179.34 25.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -144.51 122.13 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.027 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.8 113.94 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.49 -152.64 6.48 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.69 175.37 5.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.23 106.01 1.38 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.74 132.74 35.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.489 HG22 ' H ' ' A' ' 12' ' ' VAL . 8.7 p -164.61 169.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.489 ' H ' HG22 ' A' ' 11' ' ' VAL . 9.3 p -79.1 162.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -107.41 164.96 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.63 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -129.37 142.26 50.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' CE1' ' A' ' 105' ' ' PHE . 20.2 mt-10 -118.26 151.81 36.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -105.28 154.68 19.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.411 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 t -137.41 140.93 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.458 ' HG2' ' CG2' ' A' ' 100' ' ' THR . 0.7 OUTLIER -107.88 116.1 31.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.769 HG11 HD21 ' A' ' 64' ' ' LEU . 5.2 p -95.19 126.5 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.481 HG13 ' HG2' ' A' ' 98' ' ' LYS . 53.5 t -112.54 99.62 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.757 HD11 HD11 ' A' ' 64' ' ' LEU . 7.6 mt -104.56 139.79 38.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' ALA . 8.2 m -101.46 106.16 17.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.491 ' HA ' ' C ' ' A' ' 28' ' ' GLY . . . -36.98 113.57 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.423 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -59.16 158.49 18.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.14 8.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.4 t -118.77 -63.14 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.9 p -95.23 -85.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.512 ' O ' ' CG ' ' A' ' 57' ' ' PRO . . . 156.26 -101.4 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.742 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 32.4 m-85 -106.34 -18.97 13.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.71 71.34 0.6 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 mt -145.89 135.45 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' SER . 41.4 mm-40 -117.97 130.44 56.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 47' ' ' PRO . 23.3 mt -102.98 156.33 17.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.68 133.54 48.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.49 -164.1 10.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.5 m -108.16 175.19 5.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 0.739 . . . . 0.0 110.023 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 35.1 m -111.62 -28.38 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 39' ' ' ALA . 9.3 m-85 -96.28 -24.54 16.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 38' ' ' PHE . . . 37.4 88.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.6 m -75.48 -64.67 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.368 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.16 -48.03 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.911 HG23 ' H ' ' A' ' 44' ' ' SER . 3.5 t -141.69 -136.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.581 ' N ' ' OG1' ' A' ' 42' ' ' THR . 18.6 tp -126.32 0.46 7.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.911 ' H ' HG23 ' A' ' 42' ' ' THR . 4.7 t 36.66 33.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.968 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 43' ' ' LEU . 9.2 p 179.96 155.02 0.69 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.01 154.24 42.27 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.499 1.789 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.602 ' HB2' HD22 ' A' ' 33' ' ' LEU . 18.4 Cg_endo -74.96 96.38 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.444 1.76 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.536 HD22 ' O ' ' A' ' 68' ' ' ASP . 6.1 mt -90.33 154.69 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.5 mt -73.01 105.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' GLN . 29.5 t -66.82 -53.68 30.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.518 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 92.3 t80 -149.23 157.73 43.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.436 HD12 HG12 ' A' ' 66' ' ' ILE . 24.1 mt -120.35 110.44 28.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.97 152.59 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.88 163.84 14.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t0 54.99 19.6 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 p -102.18 164.09 16.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.95 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.512 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -75.01 -14.8 21.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -75.57 -29.79 59.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -92.56 -19.13 22.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.424 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 3.2 mtt180 -73.83 -50.42 20.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.966 ' SG ' HG22 ' A' ' 63' ' ' VAL . 31.9 p -60.76 -37.24 81.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 108.271 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.99 38.8 96.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.966 HG22 ' SG ' ' A' ' 61' ' ' CYS . 34.8 m -108.93 -22.31 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.769 HD21 HG11 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -95.64 137.36 34.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -114.35 152.24 31.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 5.3 mm -66.6 113.83 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.55 28.22 20.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.536 ' O ' HD22 ' A' ' 48' ' ' LEU . 3.1 t0 -59.7 -160.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -142.36 94.51 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 47' ' ' PRO . 9.9 p -83.67 118.46 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.419 ' N ' ' O ' ' A' ' 102' ' ' GLU . 55.0 mmm -86.81 -18.7 30.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.701 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -166.47 168.75 14.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.463 HG13 ' CG2' ' A' ' 78' ' ' THR . 54.2 mt -139.07 99.48 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 100' ' ' THR . 0.5 OUTLIER 72.64 15.13 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.88 -13.08 45.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.685 HG23 ' HD2' ' A' ' 77' ' ' PRO . 5.2 mt -71.9 141.73 84.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.685 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.04 117.34 4.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.701 HG23 ' HA ' ' A' ' 72' ' ' ALA . 5.4 p -81.67 70.84 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.445 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -176.17 -41.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -62.9 -51.62 66.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.4 m -77.93 -162.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.7 p -125.65 170.47 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -53.88 -27.69 31.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -68.08 -34.67 76.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -58.33 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.93 -53.64 4.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -52.45 -46.73 66.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.24 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -40.06 86.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.9 mt -50.49 -41.34 53.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.569 HD22 HG21 ' A' ' 99' ' ' VAL . 11.3 mt -63.46 -52.65 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -36.42 76.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -78.26 -21.22 50.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.3 m -85.89 -12.92 49.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 m -76.66 -21.18 55.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.8 mt -55.49 -63.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 t -69.96 -6.74 35.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.53 28.79 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.481 ' HG2' HG13 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -147.52 147.26 29.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.569 HG21 HD22 ' A' ' 90' ' ' LEU . 14.7 p -140.93 140.15 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.458 ' CG2' ' HG2' ' A' ' 18' ' ' GLU . 24.4 m -121.36 112.51 18.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.399 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.683 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -111.4 130.13 55.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -98.0 107.99 20.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 16' ' ' THR . 5.6 mm -104.46 160.78 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.414 ' N ' HG22 ' A' ' 103' ' ' ILE . 18.2 tt0 -131.61 134.99 46.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.541 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.5 p90 -132.06 -179.88 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -104.41 146.9 28.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 21.4 t -109.86 144.65 17.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.69 125.79 32.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -97.0 161.78 13.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.5 m -61.03 102.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 112' ' ' ILE . 4.4 t -128.74 151.43 35.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.413 ' O ' HG12 ' A' ' 111' ' ' VAL . 1.4 pp -62.0 154.52 68.37 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.52 42.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.77 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.0 p -144.74 71.82 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.957 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 67.6 p -58.5 165.37 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.26 152.69 5.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.19 158.9 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.989 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -106.62 156.48 16.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 61.8 p -39.41 134.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 94.6 p -113.18 130.89 56.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.972 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.09 -58.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.784 . . . . 0.0 110.045 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p 46.06 84.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.989 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.07 93.99 0.1 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.3 p -136.33 124.87 23.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 0.76 . . . . 0.0 109.968 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -98.99 106.9 19.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.35 -136.17 1.99 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.414 1.071 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.05 176.76 5.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.95 98.41 0.42 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -90.52 134.73 34.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 0.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.508 HG22 ' H ' ' A' ' 12' ' ' VAL . 9.8 p -165.6 170.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.689 HG23 ' HG3' ' A' ' 109' ' ' GLU . 0.3 OUTLIER -111.94 163.46 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -114.36 165.03 13.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.605 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.61 139.11 53.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.0 165.48 13.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -113.97 147.14 39.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.433 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.449 ' HB ' ' CE1' ' A' ' 105' ' ' PHE . 7.9 t -128.07 150.06 50.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.459 ' CG ' HG23 ' A' ' 100' ' ' THR . 0.4 OUTLIER -113.36 122.26 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 101' ' ' LEU . 8.4 p -97.49 149.02 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.0 p -126.07 100.49 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.827 ' CD1' HD11 ' A' ' 31' ' ' ILE . 26.7 mt -103.68 133.11 49.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.2 m -100.02 109.82 22.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.11 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.458 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -54.16 170.96 0.29 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.407 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.03 -14.29 21.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.516 HG12 HG23 ' A' ' 27' ' ' THR . 14.7 t -129.72 -59.59 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.567 ' O ' ' C ' ' A' ' 28' ' ' GLY . 22.8 p -98.02 68.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.04 -87.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 28.4 m-85 -114.84 -26.98 7.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.759 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.69 59.8 7.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.827 HD11 ' CD1' ' A' ' 21' ' ' LEU . 13.6 mt -129.41 145.95 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 0.794 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' SER . 0.4 OUTLIER -131.38 140.17 49.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.705 HD22 ' N ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -103.45 162.45 13.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.547 ' OE1' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -112.76 144.48 42.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.57 -144.79 4.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.132 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.53 168.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 0.744 . . . . 0.0 110.008 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.8 m -95.46 -37.56 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -88.6 144.6 26.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -175.72 -161.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.7 m -131.27 -81.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.452 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.491 ' HG2' HG23 ' A' ' 42' ' ' THR . 0.4 OUTLIER -111.6 -28.47 8.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.491 HG23 ' HG2' ' A' ' 41' ' ' GLU . 69.9 p -129.52 -133.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.451 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' O ' HD12 ' A' ' 43' ' ' LEU . 13.3 tp -106.66 7.9 30.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.442 ' O ' ' CB ' ' A' ' 45' ' ' SER . 1.0 OUTLIER 38.63 38.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 162.89 148.43 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.998 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.4 Cg_endo -75.01 154.92 42.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.586 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.01 97.64 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.547 HD12 ' OE1' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -81.76 138.72 35.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.6 mt -50.15 93.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLN . 16.4 t -51.65 -51.9 52.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.574 ' HA ' HD12 ' A' ' 66' ' ' ILE . 77.0 t80 -152.68 167.69 28.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.4 mt -134.46 106.84 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.16 152.47 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.24 165.33 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t0 51.93 22.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.01 164.93 13.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.411 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.04 -21.22 15.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.435 ' CB ' HG12 ' A' ' 31' ' ' ILE . . . -69.5 -31.84 70.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -91.5 -22.85 20.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.4 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 4.9 mtp180 -56.71 -51.26 69.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.532 ' HB2' HG22 ' A' ' 63' ' ' VAL . 7.8 p -60.11 -43.16 95.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 108.316 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' VAL . . . 86.04 -42.94 3.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' A' ' 61' ' ' CYS . 17.7 m -40.26 -37.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.501 ' CD1' HD11 ' A' ' 21' ' ' LEU . 41.1 mt -71.47 109.82 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -101.71 159.12 15.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' A' ' 51' ' ' TYR . 10.4 mm -69.14 124.17 24.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.8 45.36 21.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.536 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -76.49 -169.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.75 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -122.89 89.07 3.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 47' ' ' PRO . 7.0 p -82.02 111.97 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -79.38 -29.22 42.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.18 167.01 24.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.832 ' HB ' HD12 ' A' ' 89' ' ' LEU . 13.4 mt -134.06 99.91 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 100' ' ' THR . 0.2 OUTLIER 73.38 23.0 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.43 -13.05 64.72 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.731 HG21 HD11 ' A' ' 89' ' ' LEU . 9.7 mm -73.67 134.78 78.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.3 Cg_endo -75.01 114.73 4.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.438 1.757 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.714 HG21 HG13 ' A' ' 73' ' ' ILE . 2.6 p -96.89 84.14 3.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.09 64.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 t0 173.52 -62.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -174.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.069 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.511 ' O ' ' CG ' ' A' ' 85' ' ' GLU . 4.1 p -80.46 144.01 32.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -49.81 -23.93 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -19.15 61.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 82' ' ' THR . 2.1 pp20? -61.86 -37.13 83.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.74 -51.77 17.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -50.99 -22.23 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -41.3 18.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.832 HD12 ' HB ' ' A' ' 73' ' ' ILE . 10.7 mt -52.69 -20.8 3.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.749 HD23 HG21 ' A' ' 99' ' ' VAL . 15.9 mt -83.04 -60.14 2.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -56.16 -18.42 10.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.738 ' O ' HD12 ' A' ' 95' ' ' ILE . 21.7 t0 -86.79 -37.04 18.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.531 ' OG ' HG23 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -62.07 -41.02 97.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -39.41 -31.02 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.983 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 92' ' ' ASP . 7.9 mt -52.53 -70.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.509 HG23 ' H ' ' A' ' 98' ' ' LYS . 8.4 t -69.13 -9.0 50.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.352 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.75 16.49 4.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.509 ' H ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -140.11 150.48 44.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.749 HG21 HD23 ' A' ' 90' ' ' LEU . 8.0 p -141.24 138.82 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.459 HG23 ' CG ' ' A' ' 18' ' ' GLU . 1.1 m -112.98 129.33 56.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.431 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.59 ' HB2' HG12 ' A' ' 19' ' ' VAL . 1.5 mt -127.65 129.55 47.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.93 109.08 21.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 104' ' ' GLU . 14.8 mm -104.42 162.47 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.3 tt0 -124.75 136.23 53.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.52 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.1 p90 -139.34 178.18 7.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -94.99 150.28 20.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 45.3 t -117.55 146.05 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.19 137.67 51.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.689 ' HG3' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -115.22 166.78 11.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 70.5 m -85.6 100.69 12.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.5 p -160.86 134.32 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 4.4 tt -54.64 135.15 63.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.98 -50.24 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.21 166.01 32.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.43 92.92 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.033 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 60.56 110.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.1 t -167.29 -58.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 0.755 . . . . 0.0 109.972 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 122.21 161.35 11.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 115.95 4.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.463 1.77 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.4 t -144.06 91.79 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.31 133.63 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 p -131.94 -58.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.9 p -116.38 167.67 10.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.52 -92.88 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 t -160.17 -59.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 58.04 94.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.95 -105.87 3.03 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.49 168.98 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.53 133.24 8.02 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.569 1.168 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -94.47 24.99 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 110.313 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 10' ' ' GLN . 3.5 t -38.6 146.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.245 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 107' ' ' VAL . 9.8 p -118.91 163.29 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -109.11 166.62 10.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.595 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.725 HG22 ' HA ' ' A' ' 106' ' ' ASP . 0.8 OUTLIER -132.87 138.98 47.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.383 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.76 -173.98 2.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.482 HG22 ' HB2' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -137.41 149.23 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 t -122.23 157.57 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.55 ' HG3' HG23 ' A' ' 100' ' ' THR . 25.8 tt0 -110.1 116.49 31.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.0 t -102.76 136.42 35.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.2 t -123.02 113.77 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.0 HD11 HD11 ' A' ' 64' ' ' LEU . 15.6 mt -114.98 134.73 54.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 m -98.46 108.66 21.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.592 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.44 99.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.47 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -51.53 170.98 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.01 -14.03 21.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.529 HG12 HG23 ' A' ' 27' ' ' THR . 10.9 t -131.26 -61.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.554 ' O ' ' C ' ' A' ' 28' ' ' GLY . 20.4 p -95.59 68.49 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.9 -90.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 23.5 m-85 -115.17 -21.13 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.786 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 40.2 69.38 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.453 HD11 ' CD1' ' A' ' 21' ' ' LEU . 4.0 mt -130.79 145.73 35.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 0.741 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.1 mm100 -128.48 145.45 51.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.471 HD22 ' HB2' ' A' ' 47' ' ' PRO . 5.3 mt -117.0 164.86 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.7 162.51 17.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.07 -157.11 8.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.28 155.2 41.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 0.766 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 38' ' ' PHE . 7.4 p -50.39 -56.63 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.521 ' N ' HG13 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -145.4 174.0 11.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -176.36 -163.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.5 m -60.62 -75.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.429 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.91 -72.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.537 ' OG1' ' N ' ' A' ' 43' ' ' LEU . 2.9 t -107.68 -125.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.537 ' N ' ' OG1' ' A' ' 42' ' ' THR . 8.7 mt -84.42 10.96 9.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER 37.29 33.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER 172.02 166.83 0.24 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.982 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -75.02 144.11 29.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.732 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.2 Cg_endo -74.97 96.48 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 68' ' ' ASP . 3.2 mt -76.01 123.6 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.593 HD12 ' HB2' ' A' ' 68' ' ' ASP . 22.2 mt -41.06 106.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 32' ' ' GLN . 3.1 t -64.62 -53.69 43.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.508 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 84.4 t80 -142.61 160.92 39.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.469 HG22 ' HB2' ' A' ' 59' ' ' GLU . 32.6 mt -130.8 111.34 20.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.21 149.16 3.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.13 161.24 19.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t70 53.75 21.17 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.0 165.55 13.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.495 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -74.98 -24.66 12.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.65 -28.12 65.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.469 ' HB2' HG22 ' A' ' 52' ' ' ILE . 1.2 tp10 -96.75 -34.37 11.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.421 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 2.9 mtp180 -43.27 -59.16 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 58.2 m -60.67 -43.4 97.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 108.281 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.85 -15.33 43.4 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.506 HG23 ' HG ' ' A' ' 64' ' ' LEU . 27.5 m -51.11 -42.22 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.563 0.802 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.0 HD11 HD11 ' A' ' 21' ' ' LEU . 15.7 mt -76.76 105.07 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.65 145.49 24.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 5.3 mm -52.65 108.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 98.73 30.04 7.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.623 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -56.18 -177.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.603 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -120.02 69.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 47' ' ' PRO . 6.8 p -65.91 96.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -70.68 -32.54 69.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.648 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -149.26 -169.82 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.543 HG13 HG21 ' A' ' 78' ' ' THR . 20.1 mt -155.84 98.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.88 11.88 4.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.93 -3.3 31.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.501 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 8.7 mm -83.79 131.84 50.63 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 106.49 2.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.793 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.543 HG21 HG13 ' A' ' 73' ' ' ILE . 2.2 p -82.33 60.81 5.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.403 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -153.65 40.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -169.43 -45.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -173.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.7 p -106.9 162.35 13.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.426 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.502 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.8 t80 -54.96 -21.48 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -76.35 -39.6 53.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.438 ' OE1' HD21 ' A' ' 89' ' ' LEU . 0.9 OUTLIER -56.76 -66.35 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.83 -41.51 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.87 -54.41 39.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.55 -42.61 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.47 HD12 ' HB ' ' A' ' 73' ' ' ILE . 10.0 mt -47.22 -41.96 19.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 90' ' ' LEU . 14.7 mt -67.31 -45.45 76.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -29.12 67.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -79.76 -56.58 4.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.6 m -42.7 -33.28 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 m -49.07 -35.41 15.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.8 mp -53.13 -65.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.3 t -69.42 -9.14 52.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.349 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.72 31.39 16.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -154.81 145.64 22.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.1 p -142.15 147.19 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.55 HG23 ' HG3' ' A' ' 18' ' ' GLU . 17.0 m -117.02 97.66 6.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.0 mt -91.35 120.12 31.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.85 115.35 27.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.49 HG23 ' H ' ' A' ' 69' ' ' ARG . 4.8 mm -109.07 167.57 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.482 ' HB2' HG22 ' A' ' 16' ' ' THR . 4.9 tt0 -141.18 126.9 19.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.249 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.552 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.1 p90 -124.96 -179.82 4.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.725 ' HA ' HG22 ' A' ' 14' ' ' THR . 1.2 p-10 -91.81 152.13 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.489 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 3.2 t -128.25 151.64 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.35 143.66 34.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.12 168.28 9.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.23 97.43 10.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.6 p -171.15 138.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.1 mp -82.31 127.01 72.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.44 4.59 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 58.4 m 55.2 91.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.27 165.23 17.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -129.6 -171.64 12.99 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 69.1 p -148.04 129.48 14.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.785 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -101.69 154.26 18.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 171.44 18.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.0 p -174.16 93.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 81.3 p -96.5 159.55 14.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -146.41 101.86 3.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 p -99.49 113.57 26.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.6 60.06 0.66 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.7 p -105.11 93.4 4.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 110.029 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -105.43 100.46 10.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.17 -140.24 8.23 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.34 -60.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.24 -59.5 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -72.81 129.05 37.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 0.806 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.497 HG22 ' H ' ' A' ' 12' ' ' VAL . 7.7 p -168.46 169.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.497 ' H ' HG22 ' A' ' 11' ' ' VAL . 9.6 p -88.75 163.23 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -99.42 166.19 11.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -128.06 156.89 42.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.357 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 47.8 mt-10 -129.26 149.9 50.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.7 OUTLIER -108.48 144.49 36.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 110.398 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -130.18 142.85 50.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.353 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -104.54 119.61 39.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.058 HG11 HD11 ' A' ' 64' ' ' LEU . 4.8 t -95.02 130.97 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.677 HG13 ' HG3' ' A' ' 98' ' ' LYS . 55.4 t -124.49 100.58 7.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.567 HD13 ' C ' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -102.37 121.35 42.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 23' ' ' ALA . 5.6 m -81.6 103.84 11.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 22' ' ' THR . . . -34.72 97.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.471 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -61.64 165.04 8.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -74.95 4.7 4.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.607 HG23 ' H ' ' A' ' 27' ' ' THR . 4.5 m -144.34 -59.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.607 ' H ' HG23 ' A' ' 26' ' ' VAL . 22.1 p -105.68 70.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.594 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -19.94 -91.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 21.3 m-85 -106.66 -22.24 12.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 53.11 68.28 1.7 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 58' ' ' ALA . 8.3 mt -145.45 142.37 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.6 mt-30 -123.06 141.07 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.493 HD13 ' HB1' ' A' ' 86' ' ' ALA . 49.3 mt -105.35 167.06 9.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -138.45 170.22 16.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.81 -150.04 9.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.1 p -135.92 156.27 49.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 110.037 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.28 -55.9 20.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.578 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 3.2 p90 -130.13 171.31 12.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 38' ' ' PHE . . . 171.16 -175.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 41' ' ' GLU . 1.3 m -38.67 -78.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.381 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' N ' HG22 ' A' ' 40' ' ' THR . 2.4 tt0 -121.77 -66.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.6 p -100.23 -132.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 45' ' ' SER . 12.3 mt -87.76 11.98 14.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' LEU . 12.2 m 39.01 32.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.038 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER 175.39 164.55 0.4 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -74.99 148.09 34.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.607 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.3 Cg_endo -74.98 101.42 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -79.72 167.14 21.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.433 HD11 HD22 ' A' ' 64' ' ' LEU . 52.9 mt -80.26 103.18 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.8 t -59.22 -55.13 38.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.526 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 81.8 t80 -150.62 155.82 40.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.409 ' CG1' HG21 ' A' ' 49' ' ' ILE . 34.9 mt -123.57 108.18 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.35 158.38 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.65 162.09 13.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t0 55.97 19.53 3.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.96 167.69 10.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.954 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -25.71 11.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -70.29 -24.2 62.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -97.04 -30.9 12.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -55.22 -56.76 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.455 ' SG ' HG22 ' A' ' 63' ' ' VAL . 5.3 p -57.34 -32.5 66.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.06 41.11 76.68 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.455 HG22 ' SG ' ' A' ' 61' ' ' CYS . 33.2 m -111.46 -3.11 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.058 HD11 HG11 ' A' ' 19' ' ' VAL . 3.2 mt -108.34 156.98 18.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -133.95 149.56 51.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 7.4 mm -64.76 114.4 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.98 25.56 31.48 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 48' ' ' LEU . 4.0 t0 -57.53 -169.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.406 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -131.99 94.98 3.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 47' ' ' PRO . 7.8 p -86.16 118.21 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 49.2 mmm -84.54 -16.92 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.44 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -169.57 160.27 8.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.578 HG23 HD23 ' A' ' 101' ' ' LEU . 56.7 mt -129.36 97.88 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.79 24.59 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.42 -11.4 61.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.777 HG21 HD11 ' A' ' 89' ' ' LEU . 11.2 mm -69.8 129.95 90.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.4 Cg_endo -74.99 91.67 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.571 HG21 HG13 ' A' ' 73' ' ' ILE . 1.9 p -66.38 73.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -176.72 35.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.5 36.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.482 ' HB3' ' CB ' ' A' ' 85' ' ' GLU . 6.1 m -142.54 -164.51 1.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.7 p -121.93 152.96 39.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -37.07 -39.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.7 mt-10 -62.16 -55.03 32.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 0.5 OUTLIER -37.27 -71.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.493 ' HB1' HD13 ' A' ' 33' ' ' LEU . . . -43.3 -45.75 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -58.94 -51.36 70.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -47.41 71.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.777 HD11 HG21 ' A' ' 76' ' ' ILE . 17.6 mt -40.81 -45.68 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.813 ' CD2' HG21 ' A' ' 99' ' ' VAL . 14.9 mt -60.8 -71.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' LEU . 3.7 mtp180 -36.84 -45.52 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -57.09 14.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 95' ' ' ILE . 18.9 m -42.64 -45.44 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.961 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.7 p -39.53 -29.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.044 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' SER . 28.7 mt -52.16 -70.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.0 t -65.29 -10.1 29.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.57 25.83 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.677 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -149.93 125.04 10.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.813 HG21 ' CD2' ' A' ' 90' ' ' LEU . 14.9 p -114.46 143.47 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.2 m -120.07 121.43 38.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.578 HD23 HG23 ' A' ' 73' ' ' ILE . 24.4 mt -122.0 125.09 45.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 4.5 tt0 -92.61 109.44 20.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 104' ' ' GLU . 4.5 mm -108.86 164.67 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.477 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.9 tt0 -142.59 125.53 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 4.1 p90 -126.5 177.25 6.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -106.16 157.48 17.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.63 145.46 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.81 143.51 41.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -84.99 138.24 32.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.1 m -60.64 97.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.1 t -128.44 154.69 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.433 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 1.3 mt -53.41 139.3 48.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 112' ' ' ILE . 18.3 Cg_endo -74.96 159.78 41.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.12 75.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.1 m -41.42 157.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.22 -166.82 18.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 95.0 p -46.15 120.25 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.766 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.9 -149.6 6.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 139.08 23.92 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.5 p -129.22 141.2 51.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.6 t -149.94 -58.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.006 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -75.14 140.94 43.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -105.0 108.58 20.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.28 165.25 35.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -155.44 132.84 11.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 0.754 . . . . 0.0 109.984 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -70.7 119.29 14.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.95 121.08 2.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.58 1.175 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.28 -61.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.82 82.34 1.66 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -83.98 120.81 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 m -76.43 167.77 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.548 HG21 ' O ' ' A' ' 107' ' ' VAL . 2.1 p -77.17 164.0 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.964 ' CE1' HG21 ' A' ' 107' ' ' VAL . 57.0 p-80 -126.2 167.14 15.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.603 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 105' ' ' PHE . 0.9 OUTLIER -119.96 133.78 55.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 43.7 mt-10 -118.25 142.87 47.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -100.54 137.2 39.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.407 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 t -112.66 141.61 46.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.64 126.12 41.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.0 t -113.1 123.65 68.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.459 ' CG1' ' HE2' ' A' ' 98' ' ' LYS . 61.9 t -105.51 115.25 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.561 ' CD1' HD12 ' A' ' 101' ' ' LEU . 6.7 mt -116.33 140.1 49.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.2 m -102.56 107.77 18.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.458 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -44.06 98.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.459 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -55.16 164.88 1.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.3 21.47 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.482 HG12 HG23 ' A' ' 27' ' ' THR . 54.5 t -123.8 -57.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.545 ' O ' ' C ' ' A' ' 28' ' ' GLY . 13.0 p -108.9 73.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.24 -86.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.508 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 23.7 m-85 -114.71 -21.06 10.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 50.63 58.77 8.68 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.475 HG12 ' CB ' ' A' ' 58' ' ' ALA . 13.5 mt -127.59 142.62 43.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.2 mm-40 -126.93 127.41 44.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.77 HD12 ' HB2' ' A' ' 47' ' ' PRO . 2.0 mm? -92.95 158.11 15.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.91 121.81 45.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.567 ' HA3' ' CD2' ' A' ' 83' ' ' PHE . . . -116.25 -155.72 10.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.91 159.03 37.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 110.009 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.9 m -80.86 -37.95 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -101.36 142.73 32.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -173.11 176.57 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.6 m -104.55 -80.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.439 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.768 ' HG3' HG23 ' A' ' 42' ' ' THR . 12.8 pt-20 -115.66 -33.43 5.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.768 HG23 ' HG3' ' A' ' 41' ' ' GLU . 71.1 p -126.34 -134.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' A' ' 45' ' ' SER . 26.6 tp -116.38 5.59 13.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER 38.65 32.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 43' ' ' LEU . 1.2 p 178.77 153.96 0.54 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 110.028 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.03 148.4 35.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.77 ' HB2' HD12 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -75.03 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 68' ' ' ASP . 2.1 mt -86.06 137.06 32.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.494 HG21 HD11 ' A' ' 52' ' ' ILE . 39.1 mt -50.67 93.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' GLN . 43.4 t -59.92 -58.47 8.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.509 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 72.6 t80 -143.57 151.53 40.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.494 HD11 HG21 ' A' ' 49' ' ' ILE . 20.8 mt -119.62 108.91 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.464 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 1.6 mp0 -50.23 156.22 0.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.54 168.49 13.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 t0 45.66 26.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 p -105.64 162.44 19.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.964 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -18.28 18.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 111.041 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.637 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -78.21 -24.01 47.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -93.08 -20.94 20.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -45.48 72.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.358 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -42.84 82.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 108.298 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.442 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 83.88 -48.69 4.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.9 m -42.42 -28.42 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 58' ' ' ALA . 21.4 mt -76.4 98.44 4.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.435 ' N ' ' OD2' ' A' ' 68' ' ' ASP . 40.8 tt0 -95.77 157.37 15.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.509 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.0 mm -69.15 124.87 25.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.9 55.36 4.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.504 ' O ' HD23 ' A' ' 48' ' ' LEU . 72.0 m-20 -96.13 -179.04 4.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.434 ' CZ ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -116.16 89.07 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 72' ' ' ALA . 10.9 p -87.1 119.79 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 102' ' ' GLU . 1.8 mmt -84.31 -27.66 27.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.951 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -145.6 160.62 41.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.748 ' HA ' HD23 ' A' ' 101' ' ' LEU . 7.2 mt -122.46 -0.08 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 2.7 p30 167.6 42.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.65 -40.32 2.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.442 HG23 ' HD2' ' A' ' 77' ' ' PRO . 9.8 mm -65.03 136.03 96.6 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.2 Cg_endo -75.0 92.0 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.791 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.951 HG23 ' HA ' ' A' ' 72' ' ' ALA . 67.4 p -51.76 94.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.431 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -174.33 34.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 81' ' ' SER . 2.3 t70 -169.28 175.18 5.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 80' ' ' ASP . 0.9 OUTLIER 78.98 -151.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.2 p -117.19 157.84 25.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.567 ' CD2' ' HA3' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -51.46 -28.67 13.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.82 -34.57 73.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -50.2 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.447 ' HB1' ' CD1' ' A' ' 73' ' ' ILE . . . -43.12 -42.03 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.76 -42.83 76.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.465 ' NE2' ' HD3' ' A' ' 91' ' ' ARG . 28.7 mm100 -62.32 -31.42 72.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.24 -41.03 75.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.364 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.3 mt -63.62 -54.9 28.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.465 ' HD3' ' NE2' ' A' ' 88' ' ' GLN . 3.4 mtt85 -52.33 -20.96 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.88 -50.76 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -47.49 -26.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 p -57.06 -20.95 27.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.8 mt -58.34 -65.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.452 HG23 ' H ' ' A' ' 98' ' ' LYS . 10.1 t -74.4 -7.75 53.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.31 22.39 10.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.459 ' HE2' ' CG1' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -147.05 143.25 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.8 p -134.14 146.87 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -113.38 100.78 8.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 73' ' ' ILE . 48.7 mt -99.09 115.83 29.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' MET . 0.6 OUTLIER -96.06 108.52 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' A' ' 16' ' ' THR . 36.3 mm -98.0 163.47 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.444 ' N ' HG22 ' A' ' 103' ' ' ILE . 4.4 tt0 -132.86 146.79 52.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 15' ' ' GLU . 38.2 p90 -146.37 -179.65 6.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.23 115.32 30.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.964 HG21 ' CE1' ' A' ' 13' ' ' HIS . 2.6 m -70.75 155.74 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.08 141.91 30.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.409 ' HG2' HG23 ' A' ' 12' ' ' VAL . 1.6 mt-10 -73.87 168.24 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -66.91 105.09 1.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.0 t 64.28 126.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 9.0 pt -60.52 113.8 8.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 85.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.4 -60.81 1.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.028 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.61 107.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 171.12 159.17 16.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.2 t -54.41 -59.47 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 78.7 97.12 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 161.7 38.32 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.48 -58.73 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.3 t 44.86 91.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.78 149.54 9.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t 65.98 150.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.96 -154.28 9.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 m -75.57 168.55 19.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -108.08 169.38 8.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 -159.11 10.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.42 -52.01 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.61 117.62 2.75 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.725 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -50.36 -179.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.725 HG12 ' O ' ' A' ' 10' ' ' GLN . 7.9 p 50.51 173.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.67 HG23 ' HG3' ' A' ' 109' ' ' GLU . 8.3 p -98.68 161.86 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -109.84 162.88 14.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.57 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.72 141.51 51.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 3.1 mt-10 -112.2 156.7 21.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 103' ' ' ILE . 0.7 OUTLIER -119.7 139.17 52.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.421 HG22 ' HB ' ' A' ' 103' ' ' ILE . 2.1 t -112.31 162.27 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.416 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.74 111.9 16.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.063 HG21 HD21 ' A' ' 64' ' ' LEU . 5.0 t -95.17 131.61 41.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.747 HG13 ' HG2' ' A' ' 98' ' ' LYS . 41.6 t -120.71 99.35 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.656 HD23 HD11 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -98.8 121.65 41.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 24' ' ' ASP . 2.8 m -83.73 102.21 12.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -36.88 97.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.5 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -65.01 161.33 48.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.2 Cg_endo -75.08 0.53 8.82 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.453 1.764 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.692 HG12 HG23 ' A' ' 27' ' ' THR . 77.9 t -129.2 -61.2 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.692 HG23 HG12 ' A' ' 26' ' ' VAL . 82.4 p -116.19 76.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.565 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -20.8 -90.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.607 ' CD1' HG12 ' A' ' 99' ' ' VAL . 14.1 m-85 -111.42 -20.54 12.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.61 64.77 3.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.656 HD11 HD23 ' A' ' 21' ' ' LEU . 4.7 mt -136.87 147.13 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 50' ' ' SER . 7.4 mm-40 -134.83 136.0 42.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.684 HD22 ' N ' ' A' ' 33' ' ' LEU . 1.1 mm? -98.59 154.54 17.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.37 144.26 39.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.74 -157.01 29.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.11 -176.75 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.4 m -101.51 -33.76 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -98.13 139.43 33.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -174.43 179.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.8 m -83.08 -86.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -95.22 -57.26 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.348 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.59 HG23 ' H ' ' A' ' 44' ' ' SER . 6.7 t -127.43 -137.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.519 ' N ' ' OG1' ' A' ' 42' ' ' THR . 16.0 tp -94.61 9.75 37.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.59 ' H ' HG23 ' A' ' 42' ' ' THR . 3.5 p 46.46 35.36 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.9 p 162.43 160.98 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.5 Cg_endo -74.97 147.86 34.64 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 0.0 111.022 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.681 ' HG2' HG13 ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.03 158.11 42.25 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.539 1.81 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 2.9 mt -140.07 137.72 34.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.477 HG21 ' CG1' ' A' ' 52' ' ' ILE . 65.0 mt -52.61 92.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLN . 11.6 t -53.96 -58.58 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.938 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 76.3 t80 -138.83 157.5 45.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.477 ' CG1' HG21 ' A' ' 49' ' ' ILE . 48.9 mt -127.81 107.63 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.89 151.67 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.79 166.02 16.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 t70 48.59 30.49 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -110.83 164.36 15.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.427 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -75.05 -19.15 18.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -73.56 -25.27 60.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -97.0 -25.26 15.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -61.78 -38.98 90.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.711 ' HB3' HG22 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -57.98 -43.01 86.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 108.279 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.73 6.28 84.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.711 HG22 ' HB3' ' A' ' 61' ' ' CYS . 33.1 m -102.49 -16.17 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.063 HD21 HG21 ' A' ' 19' ' ' VAL . 27.7 mt -90.2 104.72 17.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 66' ' ' ILE . 10.2 tp60 -100.46 148.62 24.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.2 mm -58.66 113.12 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.82 26.62 7.04 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.128 . . . . 0.0 111.062 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.717 ' HB3' HD12 ' A' ' 103' ' ' ILE . 2.9 m-20 -53.47 -173.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.591 ' H ' HG23 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -125.82 61.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.681 HG13 ' HG2' ' A' ' 47' ' ' PRO . 7.9 p -58.86 87.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 102' ' ' GLU . 49.7 mmm -66.08 -34.04 77.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.992 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -147.88 -179.72 7.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.462 HG13 HG21 ' A' ' 78' ' ' THR . 69.7 mt -148.88 102.77 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 0.3 OUTLIER 74.6 11.06 3.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 109.244 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.89 -10.18 37.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.3 mm -79.2 132.56 62.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.2 Cg_endo -75.03 100.6 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.992 HG23 ' HA ' ' A' ' 72' ' ' ALA . 50.5 p -62.12 79.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 77' ' ' PRO . 7.5 tt0 -172.31 -36.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.45 41.98 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.88 -171.24 2.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.0 p -101.22 153.86 19.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -48.22 -32.98 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.54 -40.26 84.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.523 ' OE2' HD21 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -43.5 -62.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' LEU . . . -42.4 -61.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -46.22 -36.37 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -71.92 -36.21 69.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.523 HD21 ' OE2' ' A' ' 85' ' ' GLU . 14.6 mt -58.07 -21.47 45.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.7 mt -80.85 -51.22 8.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -58.35 -15.77 11.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.436 ' OD1' HD12 ' A' ' 95' ' ' ILE . 15.2 t0 -89.63 -54.04 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.55 -38.07 19.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.041 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.1 m -43.68 -31.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.958 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.436 HD12 ' OD1' ' A' ' 92' ' ' ASP . 9.8 mt -54.68 -64.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.2 t -70.36 -5.64 29.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.398 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.555 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 1.9 m 58.92 33.24 22.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.747 ' HG2' HG13 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -157.31 121.25 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.607 HG12 ' CD1' ' A' ' 29' ' ' PHE . 7.4 p -113.45 147.27 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.6 m -122.14 103.78 9.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.402 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.523 HD11 ' CD1' ' A' ' 31' ' ' ILE . 47.8 mt -98.89 118.77 36.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' MET . 2.4 tt0 -92.17 107.21 19.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.717 HD12 ' HB3' ' A' ' 68' ' ' ASP . 3.9 mm -102.23 167.05 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.455 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.6 tt0 -141.4 122.29 14.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 15' ' ' GLU . 1.8 p90 -123.39 177.73 5.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -104.71 160.12 15.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.0 t -123.57 146.33 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.4 146.1 41.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.67 ' HG3' HG23 ' A' ' 12' ' ' VAL . 3.2 mt-10 -120.05 169.0 10.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.7 m -110.71 112.22 23.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.3 p -167.56 147.01 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.714 HG23 ' HD2' ' A' ' 113' ' ' PRO . 4.9 mp -121.97 142.17 35.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.714 ' HD2' HG23 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -74.96 176.7 9.56 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.78 155.22 44.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 41.7 t -97.61 128.1 44.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -83.51 -150.86 10.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.8 p -70.6 129.11 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 167.78 -168.47 40.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 57.1 4.5 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.801 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 87.3 p -138.26 121.2 16.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.959 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.6 m 53.35 89.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -174.18 165.5 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.84 -59.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.74 96.12 0.48 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.8 85.86 6.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.743 . . . . 0.0 109.979 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -174.96 165.21 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.36 -57.86 2.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.46 -70.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.4 105.21 1.56 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -93.6 129.5 39.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 0.798 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.529 HG22 ' H ' ' A' ' 12' ' ' VAL . 7.4 p -162.52 170.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.529 ' H ' HG22 ' A' ' 11' ' ' VAL . 9.8 p -85.25 162.79 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -112.81 165.7 12.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.601 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.32 136.12 47.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.552 ' HG3' HG21 ' A' ' 107' ' ' VAL . 51.8 mt-10 -117.32 148.15 41.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.254 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -102.12 143.8 31.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t -117.87 142.6 47.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.364 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -109.15 115.19 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.677 HG12 ' HB2' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -104.07 151.56 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 20' ' ' VAL . 11.0 p -126.37 103.71 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.548 HD11 HD11 ' A' ' 64' ' ' LEU . 23.7 mt -100.75 125.12 47.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' ALA . 4.9 m -93.63 107.12 19.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.464 ' HA ' ' C ' ' A' ' 28' ' ' GLY . . . -37.59 104.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.45 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -43.81 162.74 0.19 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 10.59 1.67 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.923 HG23 ' H ' ' A' ' 27' ' ' THR . 2.6 m -140.8 -82.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.923 ' H ' HG23 ' A' ' 26' ' ' VAL . 39.7 p -63.56 -72.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 57' ' ' PRO . . . 136.24 -95.1 0.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.658 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 28.2 m-85 -111.61 -23.56 10.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.428 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 49.59 71.04 0.67 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.463 HG12 ' CB ' ' A' ' 58' ' ' ALA . 6.3 mt -144.62 143.26 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.73 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.5 mt-30 -126.34 145.34 50.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.9 mt -107.2 157.4 17.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.547 ' CD ' HD12 ' A' ' 48' ' ' LEU . 3.7 pt20 -114.74 171.66 7.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -122.0 170.64 15.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.82 119.14 32.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 38' ' ' PHE . 3.7 p -48.68 -52.24 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.428 ' N ' HG13 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -103.41 153.78 20.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.96 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -176.39 -162.42 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -130.0 -71.44 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.44 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -108.62 -40.5 5.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.558 HG23 ' N ' ' A' ' 43' ' ' LEU . 7.3 t -123.48 -135.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.558 ' N ' HG23 ' A' ' 42' ' ' THR . 9.2 mt -90.11 16.09 9.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER 39.1 31.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 110.04 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.426 ' N ' ' C ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER 167.96 168.9 0.12 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 154.4 42.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.468 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.07 111.4 3.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 68' ' ' ASP . 0.7 OUTLIER -82.98 141.03 32.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.532 HD12 ' OD2' ' A' ' 68' ' ' ASP . 34.4 mt -60.68 104.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLN . 6.4 t -65.72 -55.38 17.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.646 ' HA ' HD12 ' A' ' 66' ' ' ILE . 83.3 t80 -142.77 152.19 42.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.422 HG22 ' HB2' ' A' ' 59' ' ' GLU . 18.3 mt -118.14 108.18 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -49.79 149.5 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -82.29 171.17 14.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 43.35 28.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 54' ' ' ALA . 2.9 p -109.24 163.95 15.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.522 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.0 -17.72 19.3 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -74.59 -35.41 63.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' HB2' HG22 ' A' ' 52' ' ' ILE . 4.8 tp10 -83.49 -22.18 32.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -68.91 -47.33 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -41.89 78.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 108.281 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 82.1 -49.62 4.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -40.71 -31.9 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.548 HD11 HD11 ' A' ' 21' ' ' LEU . 16.0 mt -73.79 105.28 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -105.68 144.74 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 51' ' ' TYR . 22.4 mm -58.52 125.02 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.35 30.55 16.09 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.642 ' O ' HD23 ' A' ' 48' ' ' LEU . 38.4 p-10 -72.19 178.02 4.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.441 ' CZ ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -122.93 75.47 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 47' ' ' PRO . 2.7 p -72.9 115.51 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.0 mtp -84.56 -21.05 30.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.481 ' HB3' ' HB2' ' A' ' 102' ' ' GLU . . . -153.84 154.21 33.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.46 HG12 HD12 ' A' ' 101' ' ' LEU . 30.0 mt -119.87 -2.94 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.404 HD21 HD22 ' A' ' 89' ' ' LEU . 18.6 p30 170.0 42.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.91 -34.89 4.3 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.598 HG23 ' HD2' ' A' ' 77' ' ' PRO . 11.0 mm -63.22 139.31 97.54 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.598 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.2 Cg_endo -75.0 93.37 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.1 p -68.05 72.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -178.65 61.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -177.98 -39.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m -78.62 -169.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 85' ' ' GLU . 7.4 p -106.93 153.0 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.9 t80 -38.47 -35.17 0.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -50.22 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -48.16 -60.77 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.2 -54.74 35.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -48.35 -38.88 20.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 91' ' ' ARG . 2.3 tp-100 -65.06 -43.44 92.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.404 HD22 HD21 ' A' ' 74' ' ' ASN . 47.2 mt -43.23 -44.62 5.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.521 HD22 ' CD2' ' A' ' 29' ' ' PHE . 15.5 mt -69.54 -40.17 77.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' GLN . 4.5 mtp180 -61.63 -33.19 73.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.324 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -86.95 -46.04 10.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.6 m -43.85 -37.51 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.96 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.7 p -44.62 -30.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.7 mt -59.64 -67.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 98' ' ' LYS . 11.6 t -72.14 -5.28 34.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.359 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m 49.9 33.09 6.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.406 ' H ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -151.27 133.11 15.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.574 HG13 HD21 ' A' ' 101' ' ' LEU . 10.4 p -134.54 150.53 30.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.3 m -116.59 106.5 13.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.677 ' HB2' HG12 ' A' ' 19' ' ' VAL . 1.3 mm? -98.99 115.3 28.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -93.93 106.17 18.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' A' ' 16' ' ' THR . 4.3 mm -101.31 158.35 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.6 tt0 -134.24 127.0 30.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.467 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 4.9 p90 -128.61 179.38 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -96.34 143.38 27.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.552 HG21 ' HG3' ' A' ' 15' ' ' GLU . 12.1 t -112.63 146.09 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.51 146.41 42.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -119.95 167.65 11.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.7 m -78.92 103.23 8.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.4 p -152.38 135.7 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.1 pp -57.17 109.67 1.9 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.96 5.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.3 -54.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.027 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.8 p -39.97 128.04 2.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -153.09 179.2 29.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.19 164.8 34.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.36 104.44 0.08 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 115.49 4.3 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.479 1.778 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.7 m -140.35 159.73 41.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 t -178.44 157.93 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.964 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -172.37 157.8 4.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 0.748 . . . . 0.0 110.045 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m 62.32 168.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 110.037 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.18 -125.27 4.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.43 170.53 11.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.22 169.98 21.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.46 132.09 3.5 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.51 139.2 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.335 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.68 111.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -98.07 126.46 43.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 0.787 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.499 HG22 ' N ' ' A' ' 12' ' ' VAL . 14.6 p -160.7 168.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.499 ' N ' HG22 ' A' ' 11' ' ' VAL . 10.0 p -96.31 162.69 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -108.48 166.2 10.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.635 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 p -120.52 150.3 41.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.382 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -119.27 -177.86 3.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -133.19 139.42 47.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.43 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.434 ' HB ' ' CE1' ' A' ' 105' ' ' PHE . 14.0 t -124.76 141.13 52.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.624 ' CD ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -95.58 120.5 35.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.1 t -99.27 117.1 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.624 HG23 ' CD ' ' A' ' 18' ' ' GLU . 42.5 t -105.83 104.52 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.537 HD13 HD11 ' A' ' 31' ' ' ILE . 15.3 mt -107.98 137.81 45.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.8 m -101.01 108.24 19.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' THR . . . -39.83 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.473 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -52.64 170.64 0.24 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.2 Cg_endo -75.03 -13.17 21.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.525 HG12 HG23 ' A' ' 27' ' ' THR . 19.5 t -131.04 -61.87 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.574 ' O ' ' C ' ' A' ' 28' ' ' GLY . 29.5 p -97.07 69.88 2.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.362 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.574 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -21.8 -78.61 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.575 1.172 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.995 ' CD2' HD12 ' A' ' 90' ' ' LEU . 19.5 m-30 -115.97 -28.44 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 56.03 59.34 10.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.537 HD11 HD13 ' A' ' 21' ' ' LEU . 10.1 mt -133.69 144.21 36.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.779 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.5 mm-40 -126.1 131.1 52.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 33' ' ' LEU . 2.4 mm? -92.76 155.43 17.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.629 ' CD ' HD12 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -112.05 146.53 37.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -116.4 -157.55 11.08 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.462 1.101 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -157.71 169.13 25.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.738 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.9 m -99.68 -37.63 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -96.02 135.63 37.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 42' ' ' THR . . . -174.89 -165.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 m -130.06 -70.03 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.409 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -106.64 -40.66 5.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.407 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 62.7 p -123.63 -134.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.2 mt -93.44 12.55 24.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 40.54 30.94 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.977 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.33 160.57 0.96 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 151.83 40.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 98.36 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -81.36 145.39 30.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.531 HG22 ' O ' ' A' ' 49' ' ' ILE . 12.1 mt -60.52 95.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLN . 9.7 t -54.98 -53.49 55.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.972 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.528 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 86.2 t80 -148.24 156.72 42.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.5 mt -118.46 104.46 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.81 152.6 1.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.66 161.34 14.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.79 17.7 4.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.39 169.8 6.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -18.96 18.51 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.66 ' O ' HD23 ' A' ' 64' ' ' LEU . . . -72.04 -22.61 61.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.42 -30.86 15.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -52.32 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.871 ' O ' HG13 ' A' ' 63' ' ' VAL . 11.7 p -58.6 -25.48 62.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 108.286 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 38.64 52.53 2.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.888 HG23 HD13 ' A' ' 64' ' ' LEU . 22.8 m -119.65 -6.49 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.888 HD13 HG23 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -97.33 137.95 35.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -111.37 141.36 45.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.528 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 11.0 mm -53.98 106.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 95.48 36.9 5.22 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.763 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.2 t0 -57.76 -160.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.502 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -137.74 55.06 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.619 ' CG1' HG21 ' A' ' 78' ' ' THR . 1.4 t -40.84 110.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.7 mmm -79.71 -22.18 43.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 76' ' ' ILE . . . -175.04 161.47 2.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.77 HG12 HD23 ' A' ' 101' ' ' LEU . 14.6 mt -126.51 104.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.64 16.29 10.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.23 -21.49 19.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.545 HG21 HD11 ' A' ' 89' ' ' LEU . 12.9 mm -62.45 130.31 93.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.4 Cg_endo -75.0 93.85 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.511 1.795 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.619 HG21 ' CG1' ' A' ' 70' ' ' VAL . 1.7 p -62.59 78.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 77' ' ' PRO . 20.1 tt0 -177.63 38.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.8 t0 178.88 59.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.424 ' HB3' ' CB ' ' A' ' 85' ' ' GLU . 14.5 m -164.24 -166.72 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.03 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.415 ' C ' ' N ' ' A' ' 84' ' ' GLU . 6.2 p -117.34 150.48 38.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.367 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.435 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 8.1 t80 -42.14 -26.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.05 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 82' ' ' THR . 7.2 mt-10 -75.96 -51.76 11.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.424 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 26.6 mm-40 -38.81 -66.65 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -44.03 -61.46 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.465 ' OD1' HD23 ' A' ' 33' ' ' LEU . 13.5 m-20 -44.49 -41.55 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.78 -44.09 86.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.545 HD11 HG21 ' A' ' 76' ' ' ILE . 18.8 mt -50.16 -35.26 25.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.995 HD12 ' CD2' ' A' ' 29' ' ' PHE . 4.4 mm? -70.65 -58.44 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -46.27 -48.73 17.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -60.43 3.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.8 m -44.45 -37.36 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.5 t -46.83 -24.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.0 mt -54.87 -60.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.8 t -74.54 -1.89 23.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.49 33.1 22.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.21 134.01 10.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.707 HG21 HD13 ' A' ' 90' ' ' LEU . 11.6 p -135.46 145.61 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.563 HG23 ' HG3' ' A' ' 18' ' ' GLU . 1.3 m -115.47 97.3 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.379 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.77 HD23 HG12 ' A' ' 73' ' ' ILE . 1.5 mt -92.63 115.79 28.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 1.3 tp10 -82.92 119.72 24.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 104' ' ' GLU . 8.9 mm -114.23 164.0 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.482 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.8 tt0 -132.05 127.36 35.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.492 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 3.1 p90 -132.86 178.12 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.0 156.83 16.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.415 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 98.2 t -126.52 143.64 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.15 131.7 48.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -114.05 168.27 9.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.7 t -96.08 98.89 10.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.961 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.4 p -159.97 129.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 1.3 pt -56.23 139.29 73.08 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 112' ' ' ILE . 18.1 Cg_endo -74.98 -177.78 3.7 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 64.5 p -104.02 167.29 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.8 m -124.69 111.08 15.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.022 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 137.76 68.13 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.27 114.76 4.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 0.0 109.978 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -132.29 72.73 0.48 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.06 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 169.47 22.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.38 91.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.7 t 52.33 95.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.989 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m -100.43 150.54 22.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.971 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -96.37 151.66 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.035 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.45 99.26 0.22 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -124.12 160.79 27.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.8 166.69 13.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.22 122.62 5.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.75 168.9 23.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.2 96.68 0.12 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.118 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.704 ' O ' HG12 ' A' ' 11' ' ' VAL . 21.8 pt20 -48.7 176.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.756 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.704 HG12 ' O ' ' A' ' 10' ' ' GLN . 9.9 p 50.4 172.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.628 HG22 HG22 ' A' ' 107' ' ' VAL . 4.1 p -78.28 163.41 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.69 ' O ' HG22 ' A' ' 107' ' ' VAL . 18.2 p-80 -123.51 166.31 15.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.59 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.38 135.08 54.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.435 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 14.1 mt-10 -118.5 145.09 45.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -103.01 139.98 37.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -114.7 146.4 40.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' HG3' HG23 ' A' ' 100' ' ' THR . 0.4 OUTLIER -105.84 123.08 47.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 t -112.0 107.74 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 20' ' ' VAL . 3.2 p -90.24 105.8 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.3 mt -105.76 134.42 48.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.4 m -100.33 109.66 21.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.81 98.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.466 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -50.2 170.6 0.16 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.407 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.01 -14.75 21.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.528 1.804 . . . . 0.0 111.051 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 27' ' ' THR . 16.2 t -129.35 -62.42 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.562 ' O ' ' C ' ' A' ' 28' ' ' GLY . 33.8 p -96.26 69.66 2.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.09 -89.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.515 ' CD2' HD22 ' A' ' 90' ' ' LEU . 23.9 m-85 -112.0 -24.14 10.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.77 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 49.45 66.84 2.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 111.052 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.3 mt -133.99 145.44 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.498 ' C ' HD22 ' A' ' 33' ' ' LEU . 3.2 mt-30 -128.24 134.44 48.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.839 HD12 ' HB2' ' A' ' 47' ' ' PRO . 0.7 OUTLIER -101.77 165.3 11.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.01 139.38 53.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -118.34 -148.39 8.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.62 167.05 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 37' ' ' VAL . 8.8 m -80.32 -24.66 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.624 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -122.96 -179.63 4.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.624 ' HB2' ' O ' ' A' ' 38' ' ' PHE . . . 168.6 -179.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.8 m -125.91 -72.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.443 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.501 ' HG2' HG22 ' A' ' 42' ' ' THR . 2.5 pt-20 -113.53 -29.01 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.788 HG23 ' H ' ' A' ' 44' ' ' SER . 4.3 t -149.09 -132.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.518 ' N ' ' OG1' ' A' ' 42' ' ' THR . 19.7 tp -105.4 6.93 32.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.788 ' H ' HG23 ' A' ' 42' ' ' THR . 0.3 OUTLIER 37.83 34.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 170.93 169.85 0.2 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.4 Cg_endo -74.97 148.23 35.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.839 ' HB2' HD12 ' A' ' 33' ' ' LEU . 18.3 Cg_endo -75.0 74.3 4.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.504 HD23 ' CA ' ' A' ' 67' ' ' GLY . 0.8 OUTLIER -38.73 138.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.6 mt -65.5 94.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.0 t -52.37 -58.61 6.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.521 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 89.9 t80 -148.13 158.46 44.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 111.038 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.9 mt -123.02 109.87 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.43 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -51.05 149.83 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.38 169.98 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.5 t0 45.02 28.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.25 164.96 13.61 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.44 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.04 -18.99 18.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.407 1.741 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.741 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -72.32 -43.26 64.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -75.46 -27.88 59.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -60.54 -46.4 90.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -42.98 82.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.252 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 82.35 -48.44 3.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.1 m -41.55 -30.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.741 HD12 ' O ' ' A' ' 58' ' ' ALA . 13.1 mt -74.41 107.52 6.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -102.19 154.37 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.521 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 6.0 mm -69.67 119.06 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.504 ' CA ' HD23 ' A' ' 48' ' ' LEU . . . 85.79 38.34 8.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.44 ' HB3' HD12 ' A' ' 103' ' ' ILE . 0.8 OUTLIER -82.09 -177.82 6.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -120.43 98.27 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 72' ' ' ALA . 9.7 p -96.63 123.2 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.402 ' O ' ' OG1' ' A' ' 78' ' ' THR . 5.6 mtp -86.95 -22.89 25.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.855 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -151.85 156.43 40.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' A' ' 73' ' ' ILE . 16.0 mt -119.41 1.62 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.9 p30 169.51 43.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.57 -33.75 4.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.605 HG23 ' HD2' ' A' ' 77' ' ' PRO . 19.6 mm -66.21 139.96 96.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.75 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.2 Cg_endo -74.97 98.67 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.515 1.798 . . . . 0.0 111.02 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.855 HG23 ' HA ' ' A' ' 72' ' ' ALA . 33.1 p -59.17 84.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.395 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.2 OUTLIER 179.16 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.69 -25.12 65.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.0 m -97.45 -164.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.4 p -114.65 165.39 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.432 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -52.83 -26.88 15.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.92 -45.5 64.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.3 -53.15 30.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.333 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.04 -59.41 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -53.46 -44.15 68.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -45.41 94.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.467 HD12 ' HB ' ' A' ' 73' ' ' ILE . 7.6 mt -42.13 -50.92 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.515 HD22 ' CD2' ' A' ' 29' ' ' PHE . 20.2 mt -57.86 -62.17 2.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -39.5 -39.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.791 ' O ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -78.57 -49.73 12.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -46.37 -26.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t -54.45 -39.61 67.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.791 HD12 ' O ' ' A' ' 92' ' ' ASP . 1.8 mp -44.75 -73.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.481 HG23 ' H ' ' A' ' 98' ' ' LYS . 6.9 t -62.03 -16.17 49.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.31 29.6 7.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.481 ' H ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -152.4 143.19 22.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.605 HG22 ' CD1' ' A' ' 101' ' ' LEU . 11.7 p -139.59 150.9 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.46 HG23 ' HG3' ' A' ' 18' ' ' GLU . 23.3 m -116.91 97.6 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.376 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.605 ' CD1' HG22 ' A' ' 99' ' ' VAL . 3.1 mp -92.26 110.6 22.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -91.33 104.29 16.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.44 HD12 ' HB3' ' A' ' 68' ' ' ASP . 18.6 mm -99.48 160.59 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -134.22 145.99 49.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 15' ' ' GLU . 34.8 p90 -143.83 -179.23 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.58 116.23 31.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.179 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 13' ' ' HIS . 2.9 m -70.68 155.19 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -87.24 153.84 21.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.35 158.47 23.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 37.4 m -74.97 104.99 5.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.966 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.8 t -86.35 142.3 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.344 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.438 HG23 ' HD2' ' A' ' 113' ' ' PRO . 4.3 mt -55.89 135.79 72.95 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.02 110.95 3.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.03 83.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.34 113.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -43.52 127.96 5.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.3 m -53.67 145.76 14.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 131.21 87.99 0.44 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -42.57 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.1 p 40.75 80.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.4 t -105.79 113.66 27.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.959 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 p -128.24 144.05 51.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.47 177.43 4.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -130.8 140.83 50.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.441 HG22 ' HB ' ' A' ' 103' ' ' ILE . 15.2 t -125.92 141.61 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.5 122.33 40.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.866 HG11 HD11 ' A' ' 64' ' ' LEU . 8.3 t -95.6 120.51 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 20' ' ' VAL . 6.1 p -107.07 104.82 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.816 ' CD1' HD11 ' A' ' 31' ' ' ILE . 31.4 mt -109.4 132.36 54.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.6 m -98.95 110.38 23.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.27 99.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.45 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -57.69 164.2 3.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.0 2.89 6.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.627 HG23 ' H ' ' A' ' 27' ' ' THR . 5.0 m -141.66 -60.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.627 ' H ' HG23 ' A' ' 26' ' ' VAL . 10.5 p -103.8 69.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.395 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.7 -89.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -113.58 -28.42 7.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 44.86 65.01 1.94 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.816 HD11 ' CD1' ' A' ' 21' ' ' LEU . 19.2 mt -126.08 142.64 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 50' ' ' SER . 5.1 mm-40 -123.71 140.44 52.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.49 159.28 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.478 ' CD ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.789 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.069 -0.397 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.478 HD12 ' CD ' ' A' ' 34' ' ' GLN . 1.4 mt -97.87 148.09 23.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.915 HD12 ' OD2' ' A' ' 68' ' ' ASP . 21.6 mt -64.43 99.55 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.0 t -60.47 -56.44 21.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.511 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 76.9 t80 -146.36 154.82 42.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.683 HD11 HG21 ' A' ' 49' ' ' ILE . 19.3 mt -126.79 111.05 24.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.99 153.31 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.02 157.81 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 61.22 15.14 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.31 170.43 6.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.4 Cg_endo -75.01 -27.43 10.01 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.406 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . . . -69.3 -26.2 64.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 62' ' ' GLY . 6.1 tp10 -96.45 -41.0 8.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.31 -47.46 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 80.2 m -62.69 -40.86 98.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 108.27 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 70.79 4.94 55.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.143 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.6 m -85.02 -12.46 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.866 HD11 HG11 ' A' ' 19' ' ' VAL . 5.5 mt -98.5 104.47 16.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -86.74 159.15 19.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.34 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.511 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 4.7 mm -74.14 114.32 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.06 35.83 6.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.432 1.083 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.915 ' OD2' HD12 ' A' ' 49' ' ' ILE . 83.9 m-20 -64.41 -176.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.471 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -126.68 82.61 2.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.789 HG12 ' O ' ' A' ' 47' ' ' PRO . 9.6 p -73.29 117.63 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 56.0 mmm -89.29 -11.88 42.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 76' ' ' ILE . . . -175.97 161.57 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.6 mt -129.04 99.57 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.497 ' ND2' ' H ' ' A' ' 100' ' ' THR . 0.9 OUTLIER 68.48 26.23 6.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.17 -22.19 37.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.58 HG21 HD11 ' A' ' 89' ' ' LEU . 18.1 mm -61.4 125.88 85.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.2 Cg_endo -75.03 95.9 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -61.04 84.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.442 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -171.71 47.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 t0 172.88 176.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.0 m 70.9 -163.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.1 p -112.35 154.92 24.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -44.34 -30.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.66 -44.31 94.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.33 -60.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.93 -47.19 74.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -55.71 -41.08 73.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -42.72 99.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.346 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.58 HD11 HG21 ' A' ' 76' ' ' ILE . 13.6 mt -45.44 -56.38 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.848 ' CD2' HG21 ' A' ' 99' ' ' VAL . 16.2 mt -49.84 -67.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 94' ' ' SER . 15.7 mtt180 -37.59 -59.48 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.558 ' OD1' HD12 ' A' ' 95' ' ' ILE . 11.3 t0 -50.99 -50.1 59.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.402 ' CB ' ' HB ' ' A' ' 99' ' ' VAL . 6.0 m -44.49 -32.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 91' ' ' ARG . 16.3 m -51.91 -32.55 33.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.034 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.558 HD12 ' OD1' ' A' ' 92' ' ' ASP . 13.5 mt -51.8 -65.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.2 t -69.65 -6.74 33.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.14 27.69 15.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.974 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -155.08 130.98 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.848 HG21 ' CD2' ' A' ' 90' ' ' LEU . 12.1 p -125.21 140.43 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.497 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 1.2 m -111.56 123.87 51.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.468 HD21 HD21 ' A' ' 90' ' ' LEU . 36.3 mt -118.93 119.65 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -85.7 106.18 16.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.441 ' HB ' HG22 ' A' ' 17' ' ' THR . 4.0 mm -101.25 163.12 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.2 tt0 -136.27 123.74 22.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.506 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.1 p90 -130.46 175.97 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -129.0 155.34 45.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.457 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -131.43 148.92 52.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.9 OUTLIER -105.96 154.15 20.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 t -140.09 146.16 38.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.403 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.496 ' CD ' HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -101.32 119.51 38.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.347 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.4 t -99.61 117.05 44.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.496 HG23 ' CD ' ' A' ' 18' ' ' GLU . 39.8 t -101.4 117.6 46.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.52 HD13 HD11 ' A' ' 31' ' ' ILE . 22.1 mt -119.07 131.04 55.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -98.94 110.88 23.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -45.05 100.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.445 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -57.08 163.78 2.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 2.5 6.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.607 HG23 ' H ' ' A' ' 27' ' ' THR . 4.9 m -141.4 -60.03 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.607 ' H ' HG23 ' A' ' 26' ' ' VAL . 8.3 p -104.32 69.63 0.93 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.63 -87.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 13.5 m-85 -116.67 -29.86 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.83 68.95 1.11 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.52 HD11 HD13 ' A' ' 21' ' ' LEU . 24.2 mt -134.99 141.66 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.753 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.565 ' C ' HD22 ' A' ' 33' ' ' LEU . 3.9 mm-40 -125.06 142.57 51.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.686 HD22 ' N ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -103.23 163.32 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.683 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 110.955 -0.44 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -89.62 147.77 23.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.762 HG21 HD11 ' A' ' 52' ' ' ILE . 30.5 mt -61.95 105.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' GLN . 12.5 t -65.79 -54.51 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.602 ' HA ' HD12 ' A' ' 66' ' ' ILE . 93.4 t80 -142.58 161.53 37.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.762 HD11 HG21 ' A' ' 49' ' ' ILE . 27.2 mt -135.41 106.56 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -49.99 153.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.53 163.66 15.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.2 t0 54.14 20.24 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.21 166.29 12.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.047 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -74.97 -19.38 17.97 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.532 1.806 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -74.5 -27.96 60.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' GLY . 5.9 tp10 -96.84 -41.4 8.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.414 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -43.39 -56.4 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.556 ' HB2' HG22 ' A' ' 63' ' ' VAL . 13.2 m -59.96 -33.02 71.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.273 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 61.56 16.53 50.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.556 HG22 ' HB2' ' A' ' 61' ' ' CYS . 28.4 m -90.48 0.76 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.467 HD11 HD11 ' A' ' 21' ' ' LEU . 2.1 mt -119.51 112.49 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -93.56 152.49 19.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' A' ' 51' ' ' TYR . 19.3 mm -65.62 101.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.04 32.31 3.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 34.0 p-10 -56.33 -168.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.41 53.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 47' ' ' PRO . 4.3 p -42.65 117.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.5 mmm -93.69 -16.83 23.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.608 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -175.72 157.44 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.568 HG12 HD23 ' A' ' 101' ' ' LEU . 94.9 mt -124.53 90.13 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.1 m-20 82.4 13.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.56 -26.7 9.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.618 HG23 ' HD2' ' A' ' 77' ' ' PRO . 4.1 mt -60.54 139.53 92.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.618 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.5 Cg_endo -74.93 112.19 3.5 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.608 HG23 ' HA ' ' A' ' 72' ' ' ALA . 3.0 p -79.48 67.81 5.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.336 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 178.13 38.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -166.83 58.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -179.86 -171.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 p -98.94 152.25 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -47.32 -27.9 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLN . 48.0 mt-10 -67.06 -43.98 81.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.78 -67.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.68 -55.85 12.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -53.32 -21.43 5.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -88.24 -35.54 17.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.454 HD11 HD12 ' A' ' 76' ' ' ILE . 16.0 mt -58.51 -16.85 17.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.804 HD23 HG21 ' A' ' 99' ' ' VAL . 18.8 mt -81.92 -55.01 4.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 92' ' ' ASP . 2.1 ptt180 -53.13 -20.37 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 91' ' ' ARG . 1.6 t0 -80.64 -65.02 1.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.689 ' OG ' HG23 ' A' ' 99' ' ' VAL . 10.3 m -39.44 -38.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.4 t -41.86 -29.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.401 ' N ' ' C ' ' A' ' 93' ' ' SER . 12.9 mt -56.38 -67.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 t -69.41 -6.42 29.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.18 25.46 8.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -151.28 132.17 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.804 HG21 HD23 ' A' ' 90' ' ' LEU . 9.9 p -126.97 144.24 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.3 m -110.1 143.22 40.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.568 HD23 HG12 ' A' ' 73' ' ' ILE . 39.2 mt -135.65 114.85 12.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -82.78 117.36 22.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 104' ' ' GLU . 11.8 mm -115.37 162.9 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.427 ' N ' HG22 ' A' ' 103' ' ' ILE . 5.2 tt0 -143.64 122.84 12.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 6.3 p90 -121.86 179.74 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.7 p30 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.13 139.55 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 19.3 mt-10 -112.57 157.08 21.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -116.34 149.63 38.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.41 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.482 HG22 ' HB ' ' A' ' 103' ' ' ILE . 5.2 t -123.97 153.36 41.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.368 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -112.6 115.71 29.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.619 HG11 HD21 ' A' ' 64' ' ' LEU . 5.5 t -107.27 115.22 48.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 20' ' ' VAL . 4.8 p -102.21 118.9 49.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.806 HD11 ' CD1' ' A' ' 64' ' ' LEU . 48.2 mt -115.9 141.32 48.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.6 m -107.67 109.29 20.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.79 99.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.449 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -58.44 164.01 4.28 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -75.01 2.95 6.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.631 HG23 ' H ' ' A' ' 27' ' ' THR . 5.7 m -140.61 -60.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.631 ' H ' HG23 ' A' ' 26' ' ' VAL . 34.4 p -104.6 69.38 0.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.446 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.83 -87.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.096 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -114.9 -30.64 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.999 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.61 66.67 2.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.648 HD11 ' CD1' ' A' ' 21' ' ' LEU . 14.6 mt -134.54 142.37 40.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 50' ' ' SER . 5.3 mp0 -126.95 141.53 51.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 mt -111.96 160.91 16.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.709 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.787 HD23 ' O ' ' A' ' 68' ' ' ASP . 1.2 mt -74.04 130.52 39.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.962 HD12 ' OD2' ' A' ' 68' ' ' ASP . 41.3 mt -51.02 112.26 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.8 t -67.83 -52.78 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 86.5 t80 -141.4 158.43 43.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.491 ' CG1' HG21 ' A' ' 49' ' ' ILE . 71.0 mt -128.21 111.56 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.46 151.12 2.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.36 163.63 18.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 t0 49.48 23.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 p -102.05 163.91 16.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.498 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.93 -16.15 20.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.428 1.752 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.492 ' HA ' HD12 ' A' ' 64' ' ' LEU . . . -77.04 -28.26 54.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -97.23 -27.65 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.435 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 3.2 mtt180 -54.05 -53.15 57.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.3 m -60.46 -43.89 96.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.288 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.31 -19.9 24.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.9 m -57.55 -38.25 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.806 ' CD1' HD11 ' A' ' 21' ' ' LEU . 32.1 mt -78.05 98.79 5.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 66' ' ' ILE . 20.9 tp60 -92.96 146.92 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.2 mm -51.92 113.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 93.08 35.92 6.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.962 ' OD2' HD12 ' A' ' 49' ' ' ILE . 39.8 m-20 -59.38 -175.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.481 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -120.88 55.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.834 ' HA ' HD13 ' A' ' 103' ' ' ILE . 9.8 p -58.48 90.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 102' ' ' GLU . 69.5 mmm -70.08 -28.42 65.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.816 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -152.9 164.32 38.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.648 HG13 HG21 ' A' ' 78' ' ' THR . 92.1 mt -131.89 104.16 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 71.35 7.86 6.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.08 -15.18 21.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 77' ' ' PRO . 4.3 mt -72.28 141.09 83.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.453 0.737 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.0 119.28 5.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.816 HG23 ' HA ' ' A' ' 72' ' ' ALA . 82.5 p -95.75 62.05 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -172.85 64.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.5 t0 176.66 -44.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -170.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 p -96.8 155.85 16.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -51.48 -30.33 19.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -66.81 -34.97 78.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.21 -68.37 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.66 -48.52 2.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -55.51 -52.26 64.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -46.68 68.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.535 HD22 HD12 ' A' ' 76' ' ' ILE . 24.7 mt -40.22 -49.45 2.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.585 ' CD2' HG21 ' A' ' 99' ' ' VAL . 14.3 mt -61.63 -59.58 4.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -34.66 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.87 -48.11 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.1 -37.27 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.047 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.37 -28.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 96' ' ' THR . 15.8 mt -54.7 -72.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.473 ' N ' HG22 ' A' ' 95' ' ' ILE . 13.1 t -67.99 -8.13 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.22 27.19 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.059 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.21 147.97 29.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.585 HG21 ' CD2' ' A' ' 90' ' ' LEU . 8.5 p -148.53 139.36 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.6 m -111.33 105.87 14.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 110.448 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.566 HD12 HG21 ' A' ' 70' ' ' VAL . 2.9 mm? -92.37 114.22 26.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 71' ' ' MET . 6.3 tt0 -90.79 114.95 27.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.834 HD13 ' HA ' ' A' ' 70' ' ' VAL . 3.8 mm -109.82 167.37 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.455 ' N ' HG22 ' A' ' 103' ' ' ILE . 3.9 tt0 -141.19 124.42 16.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 1.2 p90 -121.17 -179.6 4.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.78 141.34 50.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -121.26 158.87 27.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.4 OUTLIER -109.23 147.47 32.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 t -124.75 157.16 36.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.717 ' HG3' HG23 ' A' ' 100' ' ' THR . 21.2 tt0 -107.73 119.15 38.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.461 HG11 HD21 ' A' ' 64' ' ' LEU . 8.2 t -96.06 118.63 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 20' ' ' VAL . 5.7 p -105.02 120.46 55.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.457 HD22 ' O ' ' A' ' 57' ' ' PRO . 21.2 mt -128.14 135.84 50.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.0 m -98.62 111.15 23.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.67 98.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.446 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.41 169.77 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.6 Cg_endo -74.95 -13.87 21.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.551 HG12 HG23 ' A' ' 27' ' ' THR . 16.7 t -129.82 -61.36 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 28' ' ' GLY . 17.4 p -97.84 69.5 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.575 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -19.59 -90.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -105.74 -24.45 12.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.53 65.61 3.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 58' ' ' ALA . 20.8 mt -138.2 145.71 28.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.5 mm100 -121.54 146.51 46.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mt -115.98 164.45 14.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 1.9 mt -94.39 138.89 31.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.458 ' CD1' ' OD2' ' A' ' 68' ' ' ASP . 32.1 mt -53.87 109.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 32' ' ' GLN . 7.4 t -72.14 -50.39 28.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.519 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 62.3 t80 -149.49 149.77 31.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.6 mt -113.64 107.59 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' HA ' ' CE2' ' A' ' 51' ' ' TYR . 1.8 mp0 -51.05 158.73 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.22 163.36 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.1 t0 53.6 20.68 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 p -101.09 161.24 24.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.457 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.1 Cg_endo -75.06 -18.59 18.47 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.477 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -74.25 -23.98 59.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -94.85 -31.68 13.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.94 -47.82 79.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.419 ' HB3' HG22 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -58.95 -42.55 90.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.276 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.41 30.33 77.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.419 HG22 ' HB3' ' A' ' 61' ' ' CYS . 15.5 m -108.09 -6.18 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 58' ' ' ALA . 1.4 mt -106.77 134.87 49.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -114.79 148.83 37.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 13.0 mm -59.45 110.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 95.99 25.21 13.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.483 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 44.2 p-10 -52.34 -179.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.27 77.89 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.655 HG21 HG12 ' A' ' 73' ' ' ILE . 10.8 p -70.82 112.69 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.05 -26.68 53.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.61 155.9 29.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.662 HG13 HG21 ' A' ' 78' ' ' THR . 16.2 mt -129.21 103.84 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.39 10.93 4.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.95 -17.9 29.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 5.8 mm -65.07 135.72 96.43 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.3 Cg_endo -75.01 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.444 1.76 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.662 HG21 HG13 ' A' ' 73' ' ' ILE . 18.3 p -87.83 93.67 9.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 176.83 39.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.89 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -177.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.6 p -98.11 149.83 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -46.92 -32.35 3.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -63.31 -39.17 93.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.506 ' OE1' HD21 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -54.79 -66.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.42 -46.27 2.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.43 -58.83 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.37 -46.91 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.506 HD21 ' OE1' ' A' ' 85' ' ' GLU . 16.3 mt -42.12 -59.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.639 ' CD2' HG21 ' A' ' 99' ' ' VAL . 13.6 mt -46.63 -65.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -40.04 -52.23 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -57.6 -53.62 56.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 m -48.08 -30.98 4.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 p -55.29 -20.08 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.011 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.8 mt -63.12 -67.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.466 HG23 ' H ' ' A' ' 98' ' ' LYS . 5.0 t -65.42 -11.33 41.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.16 23.43 5.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.466 ' H ' HG23 ' A' ' 96' ' ' THR . 0.1 OUTLIER -149.97 132.15 15.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.639 HG21 ' CD2' ' A' ' 90' ' ' LEU . 11.4 p -122.08 144.84 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.717 HG23 ' HG3' ' A' ' 18' ' ' GLU . 1.2 m -120.14 103.54 9.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.1 mt -98.8 121.12 40.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -88.27 103.83 16.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.525 HG22 ' N ' ' A' ' 104' ' ' GLU . 21.9 mm -100.43 167.18 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.525 ' N ' HG22 ' A' ' 103' ' ' ILE . 4.3 tt0 -134.57 135.75 42.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.547 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.3 p90 -134.68 178.68 6.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.68 142.76 51.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.395 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -125.83 153.11 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.6 OUTLIER -103.88 158.58 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.425 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 t -137.06 165.86 25.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -115.13 116.13 27.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.668 HG11 HD21 ' A' ' 64' ' ' LEU . 6.3 t -99.53 109.88 25.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.9 p -99.25 118.43 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.545 HD11 HD11 ' A' ' 64' ' ' LEU . 22.6 mt -118.6 132.12 56.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.1 m -95.25 105.6 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.372 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -41.23 98.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.467 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -51.43 170.22 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -74.99 -13.58 21.38 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.779 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.514 HG12 HG23 ' A' ' 27' ' ' THR . 16.7 t -130.53 -60.96 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.544 ' O ' ' C ' ' A' ' 28' ' ' GLY . 23.1 p -96.95 68.88 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -24.29 -86.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.45 1.093 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 14.7 m-85 -115.8 -27.77 6.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.88 68.25 1.57 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.1 mt -134.97 143.46 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.64 136.38 53.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.727 HD12 ' HB2' ' A' ' 47' ' ' PRO . 1.1 mm? -97.64 159.92 14.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.727 ' HB2' HD12 ' A' ' 33' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.853 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 11.8 mt -77.43 129.81 36.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.432 HD12 ' OD2' ' A' ' 68' ' ' ASP . 7.8 mt -49.73 117.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -46.03 23.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.506 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 84.3 t80 -151.2 156.99 42.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.89 107.84 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.92 153.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -88.08 169.53 11.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 45.78 26.19 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 54' ' ' ALA . 3.3 p -108.91 163.12 17.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.022 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.437 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -74.98 -23.61 13.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.515 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -69.74 -24.65 63.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.16 -22.81 17.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 3.0 mtt180 -66.01 -43.79 86.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -43.19 88.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 108.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 84.13 -48.67 4.09 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.1 m -42.39 -29.67 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.668 HD21 HG11 ' A' ' 19' ' ' VAL . 20.4 mt -76.93 98.82 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -96.15 149.09 22.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.0 mm -58.93 116.83 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.9 24.29 25.58 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.455 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 41.4 p-10 -49.58 174.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.405 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -123.96 70.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.646 ' HA ' HD13 ' A' ' 103' ' ' ILE . 14.1 p -66.69 121.24 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.428 ' SD ' ' CB ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -87.39 -20.87 26.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 76' ' ' ILE . . . -161.59 144.75 12.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.428 ' HB ' HD12 ' A' ' 89' ' ' LEU . 46.7 mt -113.61 104.15 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.482 ' ND2' HG23 ' A' ' 99' ' ' VAL . 1.2 m-80 68.7 23.66 7.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.66 -28.02 17.24 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.519 ' CD1' ' N ' ' A' ' 76' ' ' ILE . 1.2 mp -63.15 124.62 84.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.569 0.805 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.57 2.87 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 78' ' ' THR . 14.4 t -53.48 99.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 178.12 49.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -179.75 -48.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.63 177.47 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.056 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 p -88.14 161.94 17.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -58.12 -28.88 65.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.54 -38.67 87.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -48.88 -62.87 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.45 -57.72 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -47.34 -44.9 24.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.494 HE21 ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -63.93 -43.76 94.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.428 HD12 ' HB ' ' A' ' 73' ' ' ILE . 7.5 mt -49.14 -29.54 5.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.949 ' CD2' HG21 ' A' ' 99' ' ' VAL . 21.4 mt -86.53 -59.03 2.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.9 mtp85 -39.84 -57.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.5 -44.51 93.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.0 -24.77 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 t -62.26 -13.62 30.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.5 mt -66.68 -60.82 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 98' ' ' LYS . 10.2 t -75.35 -5.99 47.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.97 23.01 12.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.415 ' H ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -148.08 141.51 25.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.949 HG21 ' CD2' ' A' ' 90' ' ' LEU . 12.1 p -140.48 141.59 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 74' ' ' ASN . 93.3 m -114.9 127.27 55.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.8 mt -116.52 120.42 38.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 29.6 tt0 -84.2 104.63 14.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.646 HD13 ' HA ' ' A' ' 70' ' ' VAL . 39.4 mm -105.54 167.3 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.533 ' N ' HG22 ' A' ' 103' ' ' ILE . 3.3 tt0 -146.02 128.15 15.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 8.2 p90 -127.95 176.65 7.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.153 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -130.85 143.03 50.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.374 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.471 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 24.6 mt-10 -120.25 153.74 35.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -108.57 150.67 27.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 t -128.64 152.22 48.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.406 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -104.25 125.24 50.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.69 HG11 HD21 ' A' ' 64' ' ' LEU . 4.1 t -115.12 120.97 66.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 20' ' ' VAL . 6.4 p -106.57 115.24 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.652 HD11 HD11 ' A' ' 64' ' ' LEU . 31.2 mt -114.02 138.99 49.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.2 m -104.06 108.87 20.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.68 97.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.464 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.84 169.56 0.21 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -74.99 -13.33 21.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.549 HG12 HG23 ' A' ' 27' ' ' THR . 17.9 t -129.54 -60.41 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.561 ' O ' ' C ' ' A' ' 28' ' ' GLY . 24.4 p -99.02 69.63 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.59 -90.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 26.3 m-85 -114.72 -22.44 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.08 70.42 0.7 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.429 ' CD1' HD21 ' A' ' 101' ' ' LEU . 14.9 mt -134.64 143.36 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -122.63 135.64 54.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.484 HD13 ' HB1' ' A' ' 86' ' ' ALA . 2.3 mt -113.52 156.85 22.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.447 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 68' ' ' ASP . 71.9 mt -81.73 131.99 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.1 mt -59.1 96.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -57.72 -53.21 60.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.515 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 89.6 t80 -151.12 157.73 43.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.448 HG22 ' HB2' ' A' ' 59' ' ' GLU . 35.6 mt -123.12 111.05 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.27 151.75 2.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.97 159.34 17.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.21 19.05 4.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.35 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.25 163.37 18.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.502 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.2 Cg_endo -75.02 -19.51 17.72 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.803 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.617 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -75.24 -25.84 58.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 109.239 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.448 ' HB2' HG22 ' A' ' 52' ' ' ILE . 5.8 tp10 -93.99 -23.27 18.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -65.98 -42.8 89.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.408 ' HB3' HG22 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -59.1 -43.55 91.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 108.256 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.401 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 84.77 -45.53 3.53 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.408 HG22 ' HB3' ' A' ' 61' ' ' CYS . 15.1 m -44.22 -27.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.76 . . . . 0.0 109.297 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.69 HD21 HG11 ' A' ' 19' ' ' VAL . 18.9 mt -80.92 105.81 12.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -98.33 161.54 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.515 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.6 mm -72.55 119.59 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.84 39.68 13.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.431 1.082 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.752 ' O ' HD23 ' A' ' 48' ' ' LEU . 4.8 t0 -77.89 -178.77 5.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 0.769 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.472 ' CZ ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -116.77 89.5 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.617 HG22 ' O ' ' A' ' 72' ' ' ALA . 8.6 p -87.31 112.95 23.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.2 mtp -83.56 -9.97 58.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.915 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -163.66 150.84 12.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.515 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 24.3 mt -113.41 2.08 8.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 p30 170.18 43.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.04 -41.29 2.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 2.5 mt -64.5 140.36 97.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 0.731 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.0 107.84 2.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.915 HG23 ' HA ' ' A' ' 72' ' ' ALA . 48.6 p -74.4 75.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -178.64 52.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -156.58 -55.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -173.37 2.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.8 p -80.47 162.08 24.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -58.74 -31.98 68.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -63.22 -35.0 78.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.71 -53.87 41.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 110.353 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.484 ' HB1' HD13 ' A' ' 33' ' ' LEU . . . -49.38 -56.37 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -51.93 -34.42 41.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.34 -38.6 74.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.1 mt -52.27 -44.69 65.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.29 -43.16 82.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -30.22 71.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.17 -47.06 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 95' ' ' ILE . 75.4 m -42.08 -41.08 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.047 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.3 t -42.25 -29.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.409 ' N ' ' C ' ' A' ' 93' ' ' SER . 17.5 mt -52.13 -68.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.9 t -71.98 -5.75 37.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.02 25.53 15.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -149.09 153.3 37.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.582 HG22 ' CD1' ' A' ' 101' ' ' LEU . 7.5 p -145.31 152.19 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.9 m -120.56 97.32 5.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.421 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.582 ' CD1' HG22 ' A' ' 99' ' ' VAL . 2.8 mp -93.1 112.04 23.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 1.8 tt0 -90.25 106.55 18.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 104' ' ' GLU . 10.6 mm -98.97 163.65 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.472 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.7 tt0 -132.89 133.75 43.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.492 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.8 p90 -134.15 176.03 8.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.28 139.42 49.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -119.72 150.82 39.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -102.73 148.15 25.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.454 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 t -127.18 152.45 47.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -116.84 115.73 26.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.74 HG11 HD21 ' A' ' 64' ' ' LEU . 3.8 p -95.7 137.91 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.459 HG23 ' HG2' ' A' ' 98' ' ' LYS . 14.8 p -114.37 114.42 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.906 HD11 HD11 ' A' ' 64' ' ' LEU . 16.1 mt -117.3 133.51 55.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.1 m -98.33 107.02 19.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 110.369 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.8 98.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.451 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.8 170.81 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.01 -14.98 20.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.539 HG12 HG23 ' A' ' 27' ' ' THR . 14.2 t -129.29 -61.27 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.584 ' O ' ' C ' ' A' ' 28' ' ' GLY . 22.3 p -96.76 68.73 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.445 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -20.22 -89.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -108.58 -26.29 10.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.4 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 52.34 67.1 2.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.455 HD11 HD13 ' A' ' 21' ' ' LEU . 14.0 mt -136.55 149.18 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.6 mm100 -126.94 142.45 51.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.1 159.72 23.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.523 ' OE1' HD12 ' A' ' 48' ' ' LEU . 1.5 pt20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.943 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.523 HD12 ' OE1' ' A' ' 34' ' ' GLN . 9.5 mt -91.92 147.26 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.466 HD12 ' OD2' ' A' ' 68' ' ' ASP . 55.0 mt -65.06 95.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' GLN . 5.9 t -57.03 -57.56 12.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 58.7 t80 -144.45 157.54 44.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 33.9 mt -124.49 110.31 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.423 ' HA ' ' CE2' ' A' ' 51' ' ' TYR . 1.9 mp0 -50.24 156.09 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -90.52 167.25 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 48.23 24.7 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -104.01 165.1 14.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -20.58 16.91 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.89 -26.09 60.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -93.98 -24.56 17.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -53.91 51.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.2 m -60.49 -43.29 97.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 108.28 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.58 -5.94 59.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.1 m -69.81 -28.83 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.805 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.906 HD11 HD11 ' A' ' 21' ' ' LEU . 24.5 mt -81.56 106.23 13.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -96.62 150.29 20.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.6 mm -60.4 122.34 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.58 52.44 5.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.052 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.469 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 65.9 m-20 -85.23 -176.72 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.8 90.52 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.595 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.6 p -82.23 107.53 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 102' ' ' GLU . 1.4 mtp -74.34 -30.22 61.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -155.83 163.56 39.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.511 ' HB ' HD12 ' A' ' 89' ' ' LEU . 50.9 mt -137.71 101.29 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 100' ' ' THR . 0.5 OUTLIER 73.47 12.55 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.37 -19.08 24.83 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.434 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 12.3 mm -65.47 130.33 94.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.551 0.794 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.2 Cg_endo -75.0 106.0 2.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.764 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 p -92.84 90.16 6.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -175.78 39.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -179.71 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.92 -176.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.974 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.2 p -103.88 150.22 24.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -45.75 -35.15 4.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.57 -36.81 76.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.526 ' OE2' HD21 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -55.01 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.27 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' GLU . . . -40.33 -49.67 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -55.06 -47.35 74.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -57.59 -44.02 85.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.338 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.526 HD21 ' OE2' ' A' ' 85' ' ' GLU . 13.6 mt -47.55 -58.56 4.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.759 ' CD2' HG21 ' A' ' 99' ' ' VAL . 17.1 mt -49.54 -56.87 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -25.22 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.753 ' OD1' HD12 ' A' ' 95' ' ' ILE . 8.6 t0 -88.36 -47.41 8.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.6 m -51.19 -25.44 5.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.5 t -58.39 -34.0 70.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.753 HD12 ' OD1' ' A' ' 92' ' ' ASP . 16.6 mt -48.83 -71.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.412 ' N ' HG22 ' A' ' 95' ' ' ILE . 5.4 t -64.66 -11.67 37.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.81 25.48 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.459 ' HG2' HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -150.63 135.73 17.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.759 HG21 ' CD2' ' A' ' 90' ' ' LEU . 8.9 p -124.06 143.74 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 74' ' ' ASN . 1.0 OUTLIER -118.82 107.34 13.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.611 ' HB2' HG12 ' A' ' 19' ' ' VAL . 1.3 mm? -103.07 121.43 42.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 71' ' ' MET . 31.8 tt0 -92.34 106.93 18.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 104' ' ' GLU . 15.3 mm -102.01 167.2 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.515 ' N ' HG22 ' A' ' 103' ' ' ILE . 3.0 tt0 -144.32 126.62 15.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 5.4 p90 -127.58 179.22 5.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.09 143.31 51.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 32.5 mt-10 -115.86 152.2 33.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 104' ' ' GLU . 0.8 OUTLIER -118.41 140.27 50.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.445 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.0 t -117.56 150.81 38.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.36 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.699 ' HG3' HG23 ' A' ' 100' ' ' THR . 17.5 tt0 -109.14 116.46 31.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.954 HG11 HD11 ' A' ' 64' ' ' LEU . 5.6 t -104.35 115.64 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.472 ' C ' HD13 ' A' ' 21' ' ' LEU . 66.1 t -104.22 99.74 9.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.725 HD11 HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -95.24 101.69 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' ASP . 2.0 m -66.7 100.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 22' ' ' THR . . . -35.03 97.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.484 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -59.85 166.36 3.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -74.98 0.67 8.61 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.618 HG12 HG23 ' A' ' 27' ' ' THR . 17.7 t -142.35 -57.56 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.618 HG23 HG12 ' A' ' 26' ' ' VAL . 21.1 p -104.65 70.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.413 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -25.75 -84.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.799 ' CD1' HG12 ' A' ' 99' ' ' VAL . 16.4 m-85 -115.64 -23.5 8.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.423 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 51.23 60.21 7.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.679 HD11 HD23 ' A' ' 21' ' ' LEU . 13.9 mt -129.75 145.96 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' SER . 2.1 mm100 -127.3 138.43 53.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mt -114.29 158.21 21.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.523 ' OE1' HD12 ' A' ' 48' ' ' LEU . 5.1 pt20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.883 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.523 HD12 ' OE1' ' A' ' 34' ' ' GLN . 2.5 mt -93.24 148.12 22.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.5 HD12 ' OD2' ' A' ' 68' ' ' ASP . 51.8 mt -69.61 98.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLN . 27.0 t -58.09 -55.63 32.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 87.0 t80 -143.58 154.79 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.1 mt -119.84 107.71 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.423 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -50.37 151.95 2.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 110.263 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.03 164.43 14.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 t70 53.59 20.92 2.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 p -104.4 166.08 12.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.489 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.03 -23.17 14.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -70.98 -25.04 62.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -96.76 -35.28 11.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.402 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 8.8 mtt-85 -51.33 -44.19 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.6 m -61.07 -41.7 97.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.23 22.78 72.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 m -103.75 -18.28 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.954 HD11 HG11 ' A' ' 19' ' ' VAL . 6.9 mt -92.53 124.66 36.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -107.22 149.02 28.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.1 mm -60.57 117.6 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.39 32.23 7.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.5 ' OD2' HD12 ' A' ' 49' ' ' ILE . 87.4 m-20 -63.66 -177.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -128.32 80.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 47' ' ' PRO . 8.9 p -67.69 115.37 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 39.0 mmm -89.4 -19.43 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -164.99 164.18 20.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.638 ' HB ' HD12 ' A' ' 89' ' ' LEU . 23.5 mt -137.05 106.1 4.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 74.45 5.57 4.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.23 -19.94 11.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.648 ' N ' HD12 ' A' ' 76' ' ' ILE . 1.8 mp -68.75 132.67 90.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 111.04 3.23 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 p -88.58 83.84 6.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 110.416 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -159.74 26.44 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 172.7 94.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 172.83 -173.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 110.008 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 p -100.49 148.8 24.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 2.1 t80 -52.49 -20.33 2.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.47 -34.36 60.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -49.66 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -47.74 -54.57 11.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -50.23 -31.51 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.38 -36.09 60.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.638 HD12 ' HB ' ' A' ' 73' ' ' ILE . 10.3 mt -55.08 -50.1 70.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.508 HD22 HG21 ' A' ' 99' ' ' VAL . 14.1 mt -55.48 -56.91 14.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.17 -29.92 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -84.34 -38.14 20.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' LEU . 70.8 m -56.44 -27.83 57.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.0 t -54.76 -19.38 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.961 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 96' ' ' THR . 21.2 mt -59.62 -71.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.447 ' N ' HG22 ' A' ' 95' ' ' ILE . 9.4 t -62.03 -13.73 28.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.45 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 22' ' ' THR . 0.1 OUTLIER 78.53 25.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.028 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.8 ptmt -163.77 155.16 16.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.799 HG12 ' CD1' ' A' ' 29' ' ' PHE . 7.9 p -131.35 138.55 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.699 HG23 ' HG3' ' A' ' 18' ' ' GLU . 11.2 m -106.96 101.74 11.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.634 ' CD2' HG22 ' A' ' 99' ' ' VAL . 2.1 mm? -89.97 117.03 28.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -87.32 106.8 18.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 16' ' ' THR . 9.7 mm -106.68 163.27 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.484 ' HB2' HG22 ' A' ' 16' ' ' THR . 5.4 tt0 -145.19 122.93 11.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 3.6 p90 -121.02 175.87 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.2 p30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -131.79 143.32 50.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.406 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 15.8 mt-10 -116.44 155.05 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.9 OUTLIER -113.87 145.83 40.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.402 HG22 ' HB ' ' A' ' 103' ' ' ILE . 4.3 t -120.32 156.03 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -115.66 113.11 23.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.632 HG21 HD21 ' A' ' 64' ' ' LEU . 6.6 t -100.45 114.45 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.486 HG13 ' CG ' ' A' ' 98' ' ' LYS . 25.1 t -104.75 101.62 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.742 HD11 ' CD1' ' A' ' 64' ' ' LEU . 25.2 mt -100.99 142.52 32.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 m -104.92 109.81 21.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.78 100.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.435 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -57.56 163.84 3.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 3.45 5.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.618 HG23 ' H ' ' A' ' 27' ' ' THR . 4.9 m -143.13 -60.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.618 ' H ' HG23 ' A' ' 26' ' ' VAL . 5.2 p -103.83 69.5 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.66 -88.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -115.13 -27.6 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.94 56.12 10.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.694 HD11 ' CD1' ' A' ' 21' ' ' LEU . 12.2 mt -122.97 146.06 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' SER . 2.1 mt-30 -128.29 139.93 52.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.532 HD22 ' HB2' ' A' ' 47' ' ' PRO . 76.2 mt -110.27 158.33 18.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.532 ' HB2' HD22 ' A' ' 33' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 3.5 mt -132.33 127.31 35.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.454 HG21 HD11 ' A' ' 52' ' ' ILE . 24.8 mt -41.97 104.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLN . 11.8 t -65.05 -54.62 27.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.517 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 79.2 t80 -142.27 160.43 40.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.494 HD13 ' O ' ' A' ' 64' ' ' LEU . 44.4 mt -131.29 112.32 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.29 154.43 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.03 162.89 15.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 49.67 30.83 3.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.74 168.3 7.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.495 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.2 Cg_endo -75.06 -18.85 18.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.82 -27.92 44.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -96.65 -11.31 25.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.406 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 5.4 mtt85 -77.31 -40.36 44.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.9 p -59.66 -41.6 90.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 108.301 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.92 -2.61 63.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -87.29 -30.17 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.742 ' CD1' HD11 ' A' ' 21' ' ' LEU . 66.0 mt -80.1 97.76 6.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -93.81 149.18 21.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.517 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.7 mm -57.53 113.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.67 29.62 7.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.579 ' HB3' HD12 ' A' ' 103' ' ' ILE . 8.8 m-20 -54.06 -173.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.589 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -126.67 60.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.691 ' O ' HG13 ' A' ' 70' ' ' VAL . 8.4 p -60.11 89.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' GLU . 50.0 mmm -68.37 -30.39 69.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.885 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -153.36 160.79 42.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.524 HG13 HG21 ' A' ' 78' ' ' THR . 84.5 mt -131.66 103.3 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.72 4.56 4.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.62 -14.22 20.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.606 HG23 ' HD2' ' A' ' 77' ' ' PRO . 3.4 mt -71.03 140.53 85.89 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.552 0.796 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.3 Cg_endo -75.01 103.23 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.885 HG23 ' HA ' ' A' ' 72' ' ' ALA . 68.4 p -71.95 71.49 0.8 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.422 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 178.79 47.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 t0 177.34 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.753 ' C ' HG23 ' A' ' 82' ' ' THR . 51.1 m -72.2 -8.15 53.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.753 HG23 ' C ' ' A' ' 81' ' ' SER . 0.8 OUTLIER 67.03 143.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.416 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -44.4 -32.84 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.49 -39.97 61.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.483 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 0.2 OUTLIER -76.79 -54.89 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.498 ' HB1' ' CD1' ' A' ' 33' ' ' LEU . . . -40.75 -48.62 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.34 -51.85 67.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -44.73 80.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.3 mt -40.54 -36.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.765 ' CD2' HG21 ' A' ' 99' ' ' VAL . 16.3 mt -71.06 -61.26 1.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -42.58 -27.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.442 ' O ' HD12 ' A' ' 95' ' ' ILE . 14.3 t70 -84.6 -47.58 10.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -44.4 -29.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.33 -41.75 39.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.093 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 92' ' ' ASP . 3.3 mt -44.53 -73.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.454 HG23 ' H ' ' A' ' 98' ' ' LYS . 11.2 t -64.43 -11.07 29.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.428 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 m 65.05 25.87 12.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.486 ' CG ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -148.24 146.79 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.765 HG21 ' CD2' ' A' ' 90' ' ' LEU . 14.9 p -140.31 136.02 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.9 m -108.49 104.15 13.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.9 mt -95.22 111.18 23.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' MET . 3.3 tt0 -86.53 112.96 22.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.579 HD12 ' HB3' ' A' ' 68' ' ' ASP . 1.3 mm -110.99 167.67 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.467 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.3 tt0 -142.31 123.66 14.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.503 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.6 p90 -121.57 179.86 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.69 139.6 49.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 14.5 mt-10 -110.38 156.55 20.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -116.85 145.35 43.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.475 HG22 ' HB ' ' A' ' 103' ' ' ILE . 5.0 t -119.01 153.8 34.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.608 ' HG3' HG23 ' A' ' 100' ' ' THR . 15.6 tt0 -115.34 113.26 23.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.628 HG21 HD21 ' A' ' 64' ' ' LEU . 8.5 t -101.56 127.0 55.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.7 t -113.89 108.68 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.765 HD11 ' CD1' ' A' ' 64' ' ' LEU . 16.3 mt -108.32 142.93 37.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' ASP . 7.5 m -105.01 108.83 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -43.03 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.467 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.81 170.1 0.2 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -75.0 -13.31 21.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.542 HG12 HG23 ' A' ' 27' ' ' THR . 14.4 t -130.72 -61.49 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.555 ' O ' ' C ' ' A' ' 28' ' ' GLY . 19.9 p -97.05 69.5 2.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.18 -85.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.493 1.121 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.433 ' CE2' ' HB2' ' A' ' 93' ' ' SER . 14.1 m-85 -116.09 -27.43 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.11 62.71 4.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.634 HD11 ' HB2' ' A' ' 58' ' ' ALA . 5.5 mt -131.63 145.35 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' SER . 2.7 mm100 -125.44 145.16 50.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mt -117.48 163.23 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 111.052 -0.403 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.495 HD22 ' O ' ' A' ' 68' ' ' ASP . 12.2 mt -136.37 135.45 38.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.881 HD12 ' OD2' ' A' ' 68' ' ' ASP . 22.8 mt -54.7 98.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 32' ' ' GLN . 18.2 t -58.31 -57.68 11.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.517 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 85.1 t80 -137.66 159.92 40.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.43 HG22 ' HB2' ' A' ' 59' ' ' GLU . 60.3 mt -128.62 109.25 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.07 149.33 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.79 159.55 19.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 t0 56.7 18.83 3.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.15 166.31 13.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.486 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.03 -22.73 14.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.771 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.634 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -73.32 -27.86 61.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.43 ' HB2' HG22 ' A' ' 52' ' ' ILE . 5.3 tp10 -96.33 -12.03 25.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -64.02 -60.94 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.405 ' HB2' HG22 ' A' ' 63' ' ' VAL . 37.2 m -60.18 -43.47 95.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.258 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.47 -22.23 17.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.405 HG22 ' HB2' ' A' ' 61' ' ' CYS . 30.4 m -48.76 -29.21 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.765 ' CD1' HD11 ' A' ' 21' ' ' LEU . 39.4 mt -86.81 99.95 12.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.461 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 4.8 mt-30 -94.26 145.57 24.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.517 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.4 mm -50.75 114.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.95 30.03 8.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.881 ' OD2' HD12 ' A' ' 49' ' ' ILE . 74.2 m-20 -53.02 -177.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.514 ' H ' HG23 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -118.22 54.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.861 ' HA ' HD13 ' A' ' 103' ' ' ILE . 2.7 p -55.41 91.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 102' ' ' GLU . 49.4 mmm -73.73 -33.35 64.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.935 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -147.59 178.07 8.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 97.2 mt -142.06 97.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 72.07 9.3 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.84 -12.58 20.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.668 HG21 HD11 ' A' ' 89' ' ' LEU . 7.9 mm -72.05 132.42 84.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.2 Cg_endo -74.98 100.05 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.935 HG23 ' HA ' ' A' ' 72' ' ' ALA . 60.8 p -65.97 73.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.9 OUTLIER -171.36 -44.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.68 -47.06 87.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.3 m -79.28 -156.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.9 p -119.24 160.7 21.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -47.96 -27.48 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -69.53 -50.23 46.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.474 ' OE2' HD21 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -43.65 -60.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.41 -50.49 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -56.92 -49.77 74.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -43.05 81.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.668 HD11 HG21 ' A' ' 76' ' ' ILE . 10.3 mt -45.85 -52.25 11.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.78 ' CD2' HG21 ' A' ' 99' ' ' VAL . 14.7 mt -59.02 -59.13 5.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.99 -40.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -77.13 -43.59 33.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' LEU . 6.7 m -44.8 -36.81 3.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t -48.16 -27.01 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 96' ' ' THR . 17.6 mt -53.12 -73.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.479 HG23 ' H ' ' A' ' 98' ' ' LYS . 9.6 t -65.18 -12.41 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 0.3 OUTLIER 68.77 24.48 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.015 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.479 ' H ' HG23 ' A' ' 96' ' ' THR . 3.9 tttt -148.74 144.87 27.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.78 HG21 ' CD2' ' A' ' 90' ' ' LEU . 7.9 p -141.7 143.06 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.608 HG23 ' HG3' ' A' ' 18' ' ' GLU . 10.7 m -114.56 98.14 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.651 HD22 HG22 ' A' ' 99' ' ' VAL . 3.8 mm? -86.81 119.29 26.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' MET . 11.6 tt0 -95.41 119.0 33.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.861 HD13 ' HA ' ' A' ' 70' ' ' VAL . 5.6 mm -115.12 167.35 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.446 ' N ' HG22 ' A' ' 103' ' ' ILE . 3.7 tt0 -141.7 124.52 16.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 1.2 p90 -121.14 -179.55 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 p30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.3 p-80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -129.43 146.92 51.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.486 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 4.8 mt-10 -120.43 148.89 43.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.5 OUTLIER -106.96 148.84 28.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 t -136.42 141.0 43.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.831 ' HG3' HG23 ' A' ' 100' ' ' THR . 3.9 tt0 -105.77 124.06 48.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 101' ' ' LEU . 9.2 p -99.72 134.63 38.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.467 ' CG1' ' HE2' ' A' ' 98' ' ' LYS . 53.6 t -115.34 99.24 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 mt -101.99 139.55 37.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.7 m -102.17 109.05 20.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.373 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.07 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.449 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -50.48 167.77 0.25 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.0 -10.78 21.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.538 HG12 HG23 ' A' ' 27' ' ' THR . 20.8 t -131.37 -60.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.564 ' O ' ' C ' ' A' ' 28' ' ' GLY . 9.2 p -100.68 70.27 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -21.43 -85.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.498 ' CD2' HD22 ' A' ' 90' ' ' LEU . 14.9 m-85 -113.61 -38.63 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.447 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 66.57 59.99 6.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 mt -129.43 141.58 46.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -121.19 132.19 54.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.819 HD12 ' HB2' ' A' ' 47' ' ' PRO . 1.2 mm? -99.68 157.93 16.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.457 ' HG2' ' CB ' ' A' ' 48' ' ' LEU . 2.3 pp0? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.819 ' HB2' HD12 ' A' ' 33' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CB ' ' HG2' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -39.22 136.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.697 ' O ' HG22 ' A' ' 49' ' ' ILE . 10.6 mt -69.27 83.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' GLN . 30.7 t -39.78 -61.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.601 ' HA ' HD12 ' A' ' 66' ' ' ILE . 90.0 t80 -144.4 158.11 43.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.468 HG13 ' CG2' ' A' ' 49' ' ' ILE . 17.6 mt -121.11 109.66 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.447 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -50.04 153.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.262 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -89.51 169.3 11.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 47.3 25.02 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -107.27 164.09 15.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HA ' ' HB2' ' A' ' 60' ' ' ARG . 18.1 Cg_endo -75.06 -21.22 15.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.528 1.804 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.8 -25.21 62.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 62' ' ' GLY . 2.1 tp10 -96.42 -39.69 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.408 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 19.3 mtt180 -42.22 -53.05 4.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.1 m -66.75 -34.7 78.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 59.82 22.26 56.95 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.44 HG23 ' HG ' ' A' ' 64' ' ' LEU . 33.6 m -87.65 -10.31 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.481 0.754 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.44 ' HG ' HG23 ' A' ' 63' ' ' VAL . 1.2 mt -107.88 124.09 49.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -102.29 155.04 18.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 51' ' ' TYR . 21.2 mm -66.43 105.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 68' ' ' ASP . . . 110.07 22.13 6.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.495 ' CG ' HD12 ' A' ' 49' ' ' ILE . 34.5 p-10 -51.43 -177.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.439 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -138.8 66.49 1.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.53 HG13 ' HD2' ' A' ' 47' ' ' PRO . 8.4 p -64.45 115.68 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 102' ' ' GLU . 69.9 mmm -75.79 -24.7 55.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.574 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -160.05 158.67 30.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.788 HG13 HG21 ' A' ' 78' ' ' THR . 54.2 mt -126.72 111.84 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 100' ' ' THR . 1.0 OUTLIER 61.73 18.23 9.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 106.68 -16.35 40.47 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.138 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.444 HG21 HD11 ' A' ' 89' ' ' LEU . 21.1 mm -66.11 128.97 94.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.4 Cg_endo -74.93 76.04 3.49 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.769 . . . . 0.0 111.072 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.788 HG21 HG13 ' A' ' 73' ' ' ILE . 33.6 p -59.3 85.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.398 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' PRO . 7.7 pt-20 -179.71 53.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 171.21 -40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.9 m -59.17 -164.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.977 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 p -113.88 156.77 23.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -48.56 -24.1 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -74.0 -38.15 64.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -49.13 -67.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.95 -58.79 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -50.24 -39.21 44.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -67.52 -39.46 85.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.444 HD11 HG21 ' A' ' 76' ' ' ILE . 27.4 mt -52.8 -51.55 60.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.899 ' CD2' HG21 ' A' ' 99' ' ' VAL . 15.3 mt -54.54 -64.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.66 -54.36 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.62 -56.42 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.471 ' OG ' HG23 ' A' ' 99' ' ' VAL . 59.2 m -42.45 -40.87 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 p -43.81 -29.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.9 mt -50.81 -66.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.0 t -72.67 -3.77 27.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m 64.83 24.4 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.467 ' HE2' ' CG1' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -146.68 136.24 23.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.899 HG21 ' CD2' ' A' ' 90' ' ' LEU . 8.0 p -126.97 149.83 32.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.831 HG23 ' HG3' ' A' ' 18' ' ' GLU . 1.1 m -124.71 130.21 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.615 ' HB2' HG12 ' A' ' 19' ' ' VAL . 6.3 mt -125.87 120.1 29.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.3 tt0 -89.11 105.19 17.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 104' ' ' GLU . 4.5 mm -99.79 167.21 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.502 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.9 tt0 -143.91 123.52 13.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.486 ' CD1' ' O ' ' A' ' 15' ' ' GLU . 5.2 p90 -125.64 173.86 8.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -129.37 142.26 50.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' CE1' ' A' ' 105' ' ' PHE . 20.2 mt-10 -118.26 151.81 36.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -105.28 154.68 19.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.411 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 t -137.41 140.93 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.458 ' HG2' ' CG2' ' A' ' 100' ' ' THR . 0.7 OUTLIER -107.88 116.1 31.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.769 HG11 HD21 ' A' ' 64' ' ' LEU . 5.2 p -95.19 126.5 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.481 HG13 ' HG2' ' A' ' 98' ' ' LYS . 53.5 t -112.54 99.62 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.757 HD11 HD11 ' A' ' 64' ' ' LEU . 7.6 mt -104.56 139.79 38.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' ALA . 8.2 m -101.46 106.16 17.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.491 ' HA ' ' C ' ' A' ' 28' ' ' GLY . . . -36.98 113.57 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.423 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -59.16 158.49 18.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.14 8.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.4 t -118.77 -63.14 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.9 p -95.23 -85.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.512 ' O ' ' CG ' ' A' ' 57' ' ' PRO . . . 156.26 -101.4 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.742 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 32.4 m-85 -106.34 -18.97 13.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.71 71.34 0.6 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 mt -145.89 135.45 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' SER . 41.4 mm-40 -117.97 130.44 56.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 47' ' ' PRO . 23.3 mt -102.98 156.33 17.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.602 ' HB2' HD22 ' A' ' 33' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.038 -0.408 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.536 HD22 ' O ' ' A' ' 68' ' ' ASP . 6.1 mt -90.33 154.69 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.5 mt -73.01 105.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' GLN . 29.5 t -66.82 -53.68 30.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.518 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 92.3 t80 -149.23 157.73 43.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.436 HD12 HG12 ' A' ' 66' ' ' ILE . 24.1 mt -120.35 110.44 28.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.97 152.59 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.88 163.84 14.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t0 54.99 19.6 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 p -102.18 164.09 16.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.95 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.512 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -75.01 -14.8 21.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -75.57 -29.79 59.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -92.56 -19.13 22.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.424 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 3.2 mtt180 -73.83 -50.42 20.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.966 ' SG ' HG22 ' A' ' 63' ' ' VAL . 31.9 p -60.76 -37.24 81.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 108.271 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.99 38.8 96.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.966 HG22 ' SG ' ' A' ' 61' ' ' CYS . 34.8 m -108.93 -22.31 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.769 HD21 HG11 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -95.64 137.36 34.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -114.35 152.24 31.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 5.3 mm -66.6 113.83 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.55 28.22 20.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.536 ' O ' HD22 ' A' ' 48' ' ' LEU . 3.1 t0 -59.7 -160.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -142.36 94.51 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 47' ' ' PRO . 9.9 p -83.67 118.46 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.419 ' N ' ' O ' ' A' ' 102' ' ' GLU . 55.0 mmm -86.81 -18.7 30.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.701 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -166.47 168.75 14.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.463 HG13 ' CG2' ' A' ' 78' ' ' THR . 54.2 mt -139.07 99.48 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 100' ' ' THR . 0.5 OUTLIER 72.64 15.13 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.88 -13.08 45.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.685 HG23 ' HD2' ' A' ' 77' ' ' PRO . 5.2 mt -71.9 141.73 84.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.685 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.04 117.34 4.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.701 HG23 ' HA ' ' A' ' 72' ' ' ALA . 5.4 p -81.67 70.84 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.445 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -176.17 -41.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -62.9 -51.62 66.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.4 m -77.93 -162.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.7 p -125.65 170.47 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -53.88 -27.69 31.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -68.08 -34.67 76.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -58.33 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.93 -53.64 4.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -52.45 -46.73 66.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.24 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -40.06 86.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.9 mt -50.49 -41.34 53.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.569 HD22 HG21 ' A' ' 99' ' ' VAL . 11.3 mt -63.46 -52.65 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -36.42 76.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -78.26 -21.22 50.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.3 m -85.89 -12.92 49.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 m -76.66 -21.18 55.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.8 mt -55.49 -63.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 t -69.96 -6.74 35.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.53 28.79 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.481 ' HG2' HG13 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -147.52 147.26 29.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.569 HG21 HD22 ' A' ' 90' ' ' LEU . 14.7 p -140.93 140.15 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.458 ' CG2' ' HG2' ' A' ' 18' ' ' GLU . 24.4 m -121.36 112.51 18.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.399 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.683 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -111.4 130.13 55.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -98.0 107.99 20.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 16' ' ' THR . 5.6 mm -104.46 160.78 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.414 ' N ' HG22 ' A' ' 103' ' ' ILE . 18.2 tt0 -131.61 134.99 46.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.541 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.5 p90 -132.06 -179.88 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.61 139.11 53.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.0 165.48 13.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -113.97 147.14 39.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.433 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.449 ' HB ' ' CE1' ' A' ' 105' ' ' PHE . 7.9 t -128.07 150.06 50.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.459 ' CG ' HG23 ' A' ' 100' ' ' THR . 0.4 OUTLIER -113.36 122.26 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 101' ' ' LEU . 8.4 p -97.49 149.02 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 20' ' ' VAL . 7.0 p -126.07 100.49 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.827 ' CD1' HD11 ' A' ' 31' ' ' ILE . 26.7 mt -103.68 133.11 49.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.2 m -100.02 109.82 22.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.11 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.458 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -54.16 170.96 0.29 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.407 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.03 -14.29 21.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.516 HG12 HG23 ' A' ' 27' ' ' THR . 14.7 t -129.72 -59.59 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.567 ' O ' ' C ' ' A' ' 28' ' ' GLY . 22.8 p -98.02 68.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.04 -87.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 28.4 m-85 -114.84 -26.98 7.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.759 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.69 59.8 7.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.827 HD11 ' CD1' ' A' ' 21' ' ' LEU . 13.6 mt -129.41 145.95 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 0.794 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' SER . 0.4 OUTLIER -131.38 140.17 49.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.705 HD22 ' N ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -103.45 162.45 13.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.695 ' NE2' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.586 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.695 HD12 ' NE2' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -81.76 138.72 35.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.6 mt -50.15 93.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLN . 16.4 t -51.65 -51.9 52.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.574 ' HA ' HD12 ' A' ' 66' ' ' ILE . 77.0 t80 -152.68 167.69 28.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.4 mt -134.46 106.84 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.16 152.47 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.24 165.33 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t0 51.93 22.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.01 164.93 13.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.411 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.04 -21.22 15.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.435 ' CB ' HG12 ' A' ' 31' ' ' ILE . . . -69.5 -31.84 70.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -91.5 -22.85 20.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.4 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 4.9 mtp180 -56.71 -51.26 69.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.532 ' HB2' HG22 ' A' ' 63' ' ' VAL . 7.8 p -60.11 -43.16 95.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 108.316 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' VAL . . . 86.04 -42.94 3.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' A' ' 61' ' ' CYS . 17.7 m -40.26 -37.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.501 ' CD1' HD11 ' A' ' 21' ' ' LEU . 41.1 mt -71.47 109.82 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -101.71 159.12 15.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' A' ' 51' ' ' TYR . 10.4 mm -69.14 124.17 24.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.8 45.36 21.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.536 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -76.49 -169.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.75 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -122.89 89.07 3.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 47' ' ' PRO . 7.0 p -82.02 111.97 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -79.38 -29.22 42.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.18 167.01 24.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.832 ' HB ' HD12 ' A' ' 89' ' ' LEU . 13.4 mt -134.06 99.91 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.416 ' ND2' ' H ' ' A' ' 100' ' ' THR . 0.5 OUTLIER 73.38 23.0 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.43 -13.05 64.72 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.731 HG21 HD11 ' A' ' 89' ' ' LEU . 9.7 mm -73.67 134.78 78.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.3 Cg_endo -75.01 114.73 4.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.438 1.757 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.714 HG21 HG13 ' A' ' 73' ' ' ILE . 2.6 p -96.89 84.14 3.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.09 64.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 t0 173.52 -62.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -174.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.069 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.511 ' O ' ' CG ' ' A' ' 85' ' ' GLU . 4.1 p -80.46 144.01 32.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -49.81 -23.93 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -19.15 61.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 82' ' ' THR . 2.1 pp20? -61.86 -37.13 83.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.74 -51.77 17.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -50.99 -22.23 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -41.3 18.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.832 HD12 ' HB ' ' A' ' 73' ' ' ILE . 10.7 mt -52.69 -20.8 3.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.749 HD23 HG21 ' A' ' 99' ' ' VAL . 15.9 mt -83.04 -60.14 2.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -56.16 -18.42 10.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.738 ' O ' HD12 ' A' ' 95' ' ' ILE . 21.7 t0 -86.79 -37.04 18.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.531 ' OG ' HG23 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -62.07 -41.02 97.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -39.41 -31.02 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.983 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 92' ' ' ASP . 7.9 mt -52.53 -70.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.509 HG23 ' H ' ' A' ' 98' ' ' LYS . 8.4 t -69.13 -9.0 50.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.352 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.75 16.49 4.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.509 ' H ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -140.11 150.48 44.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.749 HG21 HD23 ' A' ' 90' ' ' LEU . 8.0 p -141.24 138.82 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.459 HG23 ' CG ' ' A' ' 18' ' ' GLU . 1.1 m -112.98 129.33 56.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.431 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.59 ' HB2' HG12 ' A' ' 19' ' ' VAL . 1.5 mt -127.65 129.55 47.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.93 109.08 21.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 104' ' ' GLU . 14.8 mm -104.42 162.47 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.3 tt0 -124.75 136.23 53.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.52 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.1 p90 -139.34 178.18 7.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.725 HG22 ' HA ' ' A' ' 106' ' ' ASP . 0.8 OUTLIER -132.87 138.98 47.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.383 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.76 -173.98 2.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.482 HG22 ' HB2' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -137.41 149.23 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 t -122.23 157.57 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.55 ' HG3' HG23 ' A' ' 100' ' ' THR . 25.8 tt0 -110.1 116.49 31.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.0 t -102.76 136.42 35.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.2 t -123.02 113.77 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.0 HD11 HD11 ' A' ' 64' ' ' LEU . 15.6 mt -114.98 134.73 54.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 m -98.46 108.66 21.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.592 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.44 99.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.47 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -51.53 170.98 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.01 -14.03 21.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.529 HG12 HG23 ' A' ' 27' ' ' THR . 10.9 t -131.26 -61.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.554 ' O ' ' C ' ' A' ' 28' ' ' GLY . 20.4 p -95.59 68.49 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.9 -90.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 23.5 m-85 -115.17 -21.13 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.786 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 40.2 69.38 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.453 HD11 ' CD1' ' A' ' 21' ' ' LEU . 4.0 mt -130.79 145.73 35.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 0.741 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.1 mm100 -128.48 145.45 51.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.471 HD22 ' HB2' ' A' ' 47' ' ' PRO . 5.3 mt -117.0 164.86 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.732 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 68' ' ' ASP . 3.2 mt -76.01 123.6 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.593 HD12 ' HB2' ' A' ' 68' ' ' ASP . 22.2 mt -41.06 106.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 32' ' ' GLN . 3.1 t -64.62 -53.69 43.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.508 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 84.4 t80 -142.61 160.92 39.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.469 HG22 ' HB2' ' A' ' 59' ' ' GLU . 32.6 mt -130.8 111.34 20.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.21 149.16 3.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.13 161.24 19.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t70 53.75 21.17 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.0 165.55 13.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.495 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -74.98 -24.66 12.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.65 -28.12 65.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.469 ' HB2' HG22 ' A' ' 52' ' ' ILE . 1.2 tp10 -96.75 -34.37 11.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.421 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 2.9 mtp180 -43.27 -59.16 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 58.2 m -60.67 -43.4 97.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 108.281 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.85 -15.33 43.4 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.506 HG23 ' HG ' ' A' ' 64' ' ' LEU . 27.5 m -51.11 -42.22 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.563 0.802 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.0 HD11 HD11 ' A' ' 21' ' ' LEU . 15.7 mt -76.76 105.07 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.65 145.49 24.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 5.3 mm -52.65 108.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 98.73 30.04 7.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.623 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -56.18 -177.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.603 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -120.02 69.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 47' ' ' PRO . 6.8 p -65.91 96.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -70.68 -32.54 69.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.648 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -149.26 -169.82 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.543 HG13 HG21 ' A' ' 78' ' ' THR . 20.1 mt -155.84 98.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.88 11.88 4.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.93 -3.3 31.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.501 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 8.7 mm -83.79 131.84 50.63 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 106.49 2.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.793 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.543 HG21 HG13 ' A' ' 73' ' ' ILE . 2.2 p -82.33 60.81 5.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.403 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -153.65 40.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -169.43 -45.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -173.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.7 p -106.9 162.35 13.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.426 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 1.8 t80 -54.96 -21.48 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -76.35 -39.6 53.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.438 ' OE1' HD21 ' A' ' 89' ' ' LEU . 0.9 OUTLIER -56.76 -66.35 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.83 -41.51 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.87 -54.41 39.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.55 -42.61 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.47 HD12 ' HB ' ' A' ' 73' ' ' ILE . 10.0 mt -47.22 -41.96 19.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 90' ' ' LEU . 14.7 mt -67.31 -45.45 76.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -29.12 67.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -79.76 -56.58 4.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.6 m -42.7 -33.28 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 m -49.07 -35.41 15.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.8 mp -53.13 -65.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.3 t -69.42 -9.14 52.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.349 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.72 31.39 16.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -154.81 145.64 22.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.1 p -142.15 147.19 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.55 HG23 ' HG3' ' A' ' 18' ' ' GLU . 17.0 m -117.02 97.66 6.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.0 mt -91.35 120.12 31.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.85 115.35 27.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.49 HG23 ' H ' ' A' ' 69' ' ' ARG . 4.8 mm -109.07 167.57 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.482 ' HB2' HG22 ' A' ' 16' ' ' THR . 4.9 tt0 -141.18 126.9 19.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.249 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.552 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.1 p90 -124.96 -179.82 4.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.725 ' HA ' HG22 ' A' ' 14' ' ' THR . 1.2 p-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -128.06 156.89 42.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.357 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 47.8 mt-10 -129.26 149.9 50.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.7 OUTLIER -108.48 144.49 36.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 110.398 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -130.18 142.85 50.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.353 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -104.54 119.61 39.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.058 HG11 HD11 ' A' ' 64' ' ' LEU . 4.8 t -95.02 130.97 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.677 HG13 ' HG3' ' A' ' 98' ' ' LYS . 55.4 t -124.49 100.58 7.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.567 HD13 ' C ' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -102.37 121.35 42.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 23' ' ' ALA . 5.6 m -81.6 103.84 11.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 22' ' ' THR . . . -34.72 97.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.471 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -61.64 165.04 8.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -74.95 4.7 4.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.607 HG23 ' H ' ' A' ' 27' ' ' THR . 4.5 m -144.34 -59.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.607 ' H ' HG23 ' A' ' 26' ' ' VAL . 22.1 p -105.68 70.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.594 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -19.94 -91.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 21.3 m-85 -106.66 -22.24 12.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 53.11 68.28 1.7 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 58' ' ' ALA . 8.3 mt -145.45 142.37 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.6 mt-30 -123.06 141.07 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.493 HD13 ' HB1' ' A' ' 86' ' ' ALA . 49.3 mt -105.35 167.06 9.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.607 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.947 -0.443 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -79.72 167.14 21.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.433 HD11 HD22 ' A' ' 64' ' ' LEU . 52.9 mt -80.26 103.18 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.8 t -59.22 -55.13 38.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.526 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 81.8 t80 -150.62 155.82 40.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.409 ' CG1' HG21 ' A' ' 49' ' ' ILE . 34.9 mt -123.57 108.18 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.35 158.38 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.65 162.09 13.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t0 55.97 19.53 3.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.96 167.69 10.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.954 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -25.71 11.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -70.29 -24.2 62.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -97.04 -30.9 12.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -55.22 -56.76 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.455 ' SG ' HG22 ' A' ' 63' ' ' VAL . 5.3 p -57.34 -32.5 66.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.06 41.11 76.68 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.455 HG22 ' SG ' ' A' ' 61' ' ' CYS . 33.2 m -111.46 -3.11 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.058 HD11 HG11 ' A' ' 19' ' ' VAL . 3.2 mt -108.34 156.98 18.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -133.95 149.56 51.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 7.4 mm -64.76 114.4 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.98 25.56 31.48 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 48' ' ' LEU . 4.0 t0 -57.53 -169.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.406 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -131.99 94.98 3.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 47' ' ' PRO . 7.8 p -86.16 118.21 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 49.2 mmm -84.54 -16.92 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.44 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -169.57 160.27 8.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.578 HG23 HD23 ' A' ' 101' ' ' LEU . 56.7 mt -129.36 97.88 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.79 24.59 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.42 -11.4 61.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.777 HG21 HD11 ' A' ' 89' ' ' LEU . 11.2 mm -69.8 129.95 90.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.4 Cg_endo -74.99 91.67 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.571 HG21 HG13 ' A' ' 73' ' ' ILE . 1.9 p -66.38 73.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -176.72 35.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.5 36.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.482 ' HB3' ' CB ' ' A' ' 85' ' ' GLU . 6.1 m -142.54 -164.51 1.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.7 p -121.93 152.96 39.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -37.07 -39.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.7 mt-10 -62.16 -55.03 32.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 0.5 OUTLIER -37.27 -71.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.493 ' HB1' HD13 ' A' ' 33' ' ' LEU . . . -43.3 -45.75 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -58.94 -51.36 70.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -47.41 71.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.777 HD11 HG21 ' A' ' 76' ' ' ILE . 17.6 mt -40.81 -45.68 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.813 ' CD2' HG21 ' A' ' 99' ' ' VAL . 14.9 mt -60.8 -71.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' LEU . 3.7 mtp180 -36.84 -45.52 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -57.09 14.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 95' ' ' ILE . 18.9 m -42.64 -45.44 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.961 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.7 p -39.53 -29.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.044 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' SER . 28.7 mt -52.16 -70.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.0 t -65.29 -10.1 29.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.57 25.83 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.677 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -149.93 125.04 10.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.813 HG21 ' CD2' ' A' ' 90' ' ' LEU . 14.9 p -114.46 143.47 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.2 m -120.07 121.43 38.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.578 HD23 HG23 ' A' ' 73' ' ' ILE . 24.4 mt -122.0 125.09 45.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 4.5 tt0 -92.61 109.44 20.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 104' ' ' GLU . 4.5 mm -108.86 164.67 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.477 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.9 tt0 -142.59 125.53 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 4.1 p90 -126.5 177.25 6.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 105' ' ' PHE . 0.9 OUTLIER -119.96 133.78 55.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 43.7 mt-10 -118.25 142.87 47.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -100.54 137.2 39.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.407 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 t -112.66 141.61 46.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.64 126.12 41.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.0 t -113.1 123.65 68.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.459 ' CG1' ' HE2' ' A' ' 98' ' ' LYS . 61.9 t -105.51 115.25 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.561 ' CD1' HD12 ' A' ' 101' ' ' LEU . 6.7 mt -116.33 140.1 49.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.2 m -102.56 107.77 18.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.458 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -44.06 98.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.459 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -55.16 164.88 1.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.3 21.47 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.482 HG12 HG23 ' A' ' 27' ' ' THR . 54.5 t -123.8 -57.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.545 ' O ' ' C ' ' A' ' 28' ' ' GLY . 13.0 p -108.9 73.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.24 -86.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.508 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 23.7 m-85 -114.71 -21.06 10.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 50.63 58.77 8.68 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.475 HG12 ' CB ' ' A' ' 58' ' ' ALA . 13.5 mt -127.59 142.62 43.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.2 mm-40 -126.93 127.41 44.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.77 HD12 ' HB2' ' A' ' 47' ' ' PRO . 2.0 mm? -92.95 158.11 15.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.77 ' HB2' HD12 ' A' ' 33' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 68' ' ' ASP . 2.1 mt -86.06 137.06 32.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.494 HG21 HD11 ' A' ' 52' ' ' ILE . 39.1 mt -50.67 93.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' GLN . 43.4 t -59.92 -58.47 8.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.509 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 72.6 t80 -143.57 151.53 40.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.494 HD11 HG21 ' A' ' 49' ' ' ILE . 20.8 mt -119.62 108.91 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.464 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 1.6 mp0 -50.23 156.22 0.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.54 168.49 13.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 t0 45.66 26.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 p -105.64 162.44 19.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.964 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -18.28 18.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 111.041 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.637 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -78.21 -24.01 47.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -93.08 -20.94 20.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -45.48 72.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.358 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -42.84 82.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 108.298 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.442 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 83.88 -48.69 4.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.9 m -42.42 -28.42 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 58' ' ' ALA . 21.4 mt -76.4 98.44 4.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.435 ' N ' ' OD2' ' A' ' 68' ' ' ASP . 40.8 tt0 -95.77 157.37 15.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.509 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.0 mm -69.15 124.87 25.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.9 55.36 4.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.504 ' O ' HD23 ' A' ' 48' ' ' LEU . 72.0 m-20 -96.13 -179.04 4.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.434 ' CZ ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -116.16 89.07 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 72' ' ' ALA . 10.9 p -87.1 119.79 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 102' ' ' GLU . 1.8 mmt -84.31 -27.66 27.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.951 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -145.6 160.62 41.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.748 ' HA ' HD23 ' A' ' 101' ' ' LEU . 7.2 mt -122.46 -0.08 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 2.7 p30 167.6 42.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.65 -40.32 2.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.442 HG23 ' HD2' ' A' ' 77' ' ' PRO . 9.8 mm -65.03 136.03 96.6 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.2 Cg_endo -75.0 92.0 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.791 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.951 HG23 ' HA ' ' A' ' 72' ' ' ALA . 67.4 p -51.76 94.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.431 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -174.33 34.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 81' ' ' SER . 2.3 t70 -169.28 175.18 5.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 80' ' ' ASP . 0.9 OUTLIER 78.98 -151.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.2 p -117.19 157.84 25.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -28.67 13.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.82 -34.57 73.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -50.2 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.447 ' HB1' ' CD1' ' A' ' 73' ' ' ILE . . . -43.12 -42.03 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.76 -42.83 76.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 85' ' ' GLU . 84.8 mm-40 -62.32 -31.42 72.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.24 -41.03 75.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.364 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.3 mt -63.62 -54.9 28.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -52.33 -20.96 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.88 -50.76 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -47.49 -26.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 p -57.06 -20.95 27.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.8 mt -58.34 -65.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.452 HG23 ' H ' ' A' ' 98' ' ' LYS . 10.1 t -74.4 -7.75 53.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.31 22.39 10.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.459 ' HE2' ' CG1' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -147.05 143.25 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.8 p -134.14 146.87 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -113.38 100.78 8.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 73' ' ' ILE . 48.7 mt -99.09 115.83 29.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' MET . 0.6 OUTLIER -96.06 108.52 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' A' ' 16' ' ' THR . 36.3 mm -98.0 163.47 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.444 ' N ' HG22 ' A' ' 103' ' ' ILE . 4.4 tt0 -132.86 146.79 52.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 15' ' ' GLU . 38.2 p90 -146.37 -179.65 6.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.72 141.51 51.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 3.1 mt-10 -112.2 156.7 21.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 103' ' ' ILE . 0.7 OUTLIER -119.7 139.17 52.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.421 HG22 ' HB ' ' A' ' 103' ' ' ILE . 2.1 t -112.31 162.27 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.416 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.74 111.9 16.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.063 HG21 HD21 ' A' ' 64' ' ' LEU . 5.0 t -95.17 131.61 41.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.747 HG13 ' HG2' ' A' ' 98' ' ' LYS . 41.6 t -120.71 99.35 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.656 HD23 HD11 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -98.8 121.65 41.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 24' ' ' ASP . 2.8 m -83.73 102.21 12.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -36.88 97.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.5 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -65.01 161.33 48.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.2 Cg_endo -75.08 0.53 8.82 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.453 1.764 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.692 HG12 HG23 ' A' ' 27' ' ' THR . 77.9 t -129.2 -61.2 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.692 HG23 HG12 ' A' ' 26' ' ' VAL . 82.4 p -116.19 76.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.565 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -20.8 -90.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.607 ' CD1' HG12 ' A' ' 99' ' ' VAL . 14.1 m-85 -111.42 -20.54 12.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.61 64.77 3.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.656 HD11 HD23 ' A' ' 21' ' ' LEU . 4.7 mt -136.87 147.13 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 50' ' ' SER . 7.4 mm-40 -134.83 136.0 42.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.684 HD22 ' N ' ' A' ' 33' ' ' LEU . 1.1 mm? -98.59 154.54 17.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.681 ' HG2' HG13 ' A' ' 70' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 2.9 mt -140.07 137.72 34.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.477 HG21 ' CG1' ' A' ' 52' ' ' ILE . 65.0 mt -52.61 92.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLN . 11.6 t -53.96 -58.58 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.938 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 76.3 t80 -138.83 157.5 45.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.477 ' CG1' HG21 ' A' ' 49' ' ' ILE . 48.9 mt -127.81 107.63 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.89 151.67 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.79 166.02 16.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 t70 48.59 30.49 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -110.83 164.36 15.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.427 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -75.05 -19.15 18.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -73.56 -25.27 60.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -97.0 -25.26 15.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -61.78 -38.98 90.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.711 ' HB3' HG22 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -57.98 -43.01 86.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 108.279 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.73 6.28 84.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.711 HG22 ' HB3' ' A' ' 61' ' ' CYS . 33.1 m -102.49 -16.17 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.063 HD21 HG21 ' A' ' 19' ' ' VAL . 27.7 mt -90.2 104.72 17.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 66' ' ' ILE . 10.2 tp60 -100.46 148.62 24.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.2 mm -58.66 113.12 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.82 26.62 7.04 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.128 . . . . 0.0 111.062 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.717 ' HB3' HD12 ' A' ' 103' ' ' ILE . 2.9 m-20 -53.47 -173.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.591 ' H ' HG23 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -125.82 61.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.681 HG13 ' HG2' ' A' ' 47' ' ' PRO . 7.9 p -58.86 87.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 102' ' ' GLU . 49.7 mmm -66.08 -34.04 77.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.992 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -147.88 -179.72 7.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.462 HG13 HG21 ' A' ' 78' ' ' THR . 69.7 mt -148.88 102.77 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 0.5 OUTLIER 74.6 11.06 3.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 109.244 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.89 -10.18 37.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.3 mm -79.2 132.56 62.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.2 Cg_endo -75.03 100.6 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.992 HG23 ' HA ' ' A' ' 72' ' ' ALA . 50.5 p -62.12 79.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 77' ' ' PRO . 7.5 tt0 -172.31 -36.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.45 41.98 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.88 -171.24 2.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.0 p -101.22 153.86 19.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -48.22 -32.98 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.54 -40.26 84.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.523 ' OE2' HD21 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -43.5 -62.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' LEU . . . -42.4 -61.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -46.22 -36.37 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -71.92 -36.21 69.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.523 HD21 ' OE2' ' A' ' 85' ' ' GLU . 14.6 mt -58.07 -21.47 45.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.7 mt -80.85 -51.22 8.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -58.35 -15.77 11.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.436 ' OD1' HD12 ' A' ' 95' ' ' ILE . 15.2 t0 -89.63 -54.04 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.55 -38.07 19.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.041 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.1 m -43.68 -31.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.958 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.436 HD12 ' OD1' ' A' ' 92' ' ' ASP . 9.8 mt -54.68 -64.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.2 t -70.36 -5.64 29.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.398 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.555 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 1.9 m 58.92 33.24 22.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.747 ' HG2' HG13 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -157.31 121.25 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.607 HG12 ' CD1' ' A' ' 29' ' ' PHE . 7.4 p -113.45 147.27 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.6 m -122.14 103.78 9.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.402 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.523 HD11 ' CD1' ' A' ' 31' ' ' ILE . 47.8 mt -98.89 118.77 36.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' MET . 2.4 tt0 -92.17 107.21 19.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.717 HD12 ' HB3' ' A' ' 68' ' ' ASP . 3.9 mm -102.23 167.05 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.455 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.6 tt0 -141.4 122.29 14.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 15' ' ' GLU . 1.8 p90 -123.39 177.73 5.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.251 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.32 136.12 47.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -117.32 148.15 41.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.254 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -102.12 143.8 31.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t -117.87 142.6 47.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.364 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -109.15 115.19 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.677 HG12 ' HB2' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -104.07 151.56 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.59 ' O ' HG13 ' A' ' 20' ' ' VAL . 11.0 p -126.37 103.71 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.548 HD11 HD11 ' A' ' 64' ' ' LEU . 23.7 mt -100.75 125.12 47.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' ALA . 4.9 m -93.63 107.12 19.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.464 ' HA ' ' C ' ' A' ' 28' ' ' GLY . . . -37.59 104.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.45 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -43.81 162.74 0.19 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 10.59 1.67 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.923 HG23 ' H ' ' A' ' 27' ' ' THR . 2.6 m -140.8 -82.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.923 ' H ' HG23 ' A' ' 26' ' ' VAL . 39.7 p -63.56 -72.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 57' ' ' PRO . . . 136.24 -95.1 0.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.658 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 28.2 m-85 -111.61 -23.56 10.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.428 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 49.59 71.04 0.67 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.463 HG12 ' CB ' ' A' ' 58' ' ' ALA . 6.3 mt -144.62 143.26 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.73 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.5 mt-30 -126.34 145.34 50.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.9 mt -107.2 157.4 17.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.547 ' CD ' HD12 ' A' ' 48' ' ' LEU . 3.7 pt20 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.468 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 68' ' ' ASP . 0.7 OUTLIER -82.98 141.03 32.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.532 HD12 ' OD2' ' A' ' 68' ' ' ASP . 34.4 mt -60.68 104.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLN . 6.4 t -65.72 -55.38 17.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.646 ' HA ' HD12 ' A' ' 66' ' ' ILE . 83.3 t80 -142.77 152.19 42.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.422 HG22 ' HB2' ' A' ' 59' ' ' GLU . 18.3 mt -118.14 108.18 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -49.79 149.5 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -82.29 171.17 14.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 43.35 28.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 54' ' ' ALA . 2.9 p -109.24 163.95 15.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.522 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.0 -17.72 19.3 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -74.59 -35.41 63.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.422 ' HB2' HG22 ' A' ' 52' ' ' ILE . 4.8 tp10 -83.49 -22.18 32.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -68.91 -47.33 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -41.89 78.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 108.281 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 82.1 -49.62 4.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -40.71 -31.9 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.548 HD11 HD11 ' A' ' 21' ' ' LEU . 16.0 mt -73.79 105.28 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -105.68 144.74 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 51' ' ' TYR . 22.4 mm -58.52 125.02 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.35 30.55 16.09 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.642 ' O ' HD23 ' A' ' 48' ' ' LEU . 38.4 p-10 -72.19 178.02 4.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.441 ' CZ ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -122.93 75.47 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 47' ' ' PRO . 2.7 p -72.9 115.51 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.0 mtp -84.56 -21.05 30.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.481 ' HB3' ' HB2' ' A' ' 102' ' ' GLU . . . -153.84 154.21 33.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.46 HG12 HD12 ' A' ' 101' ' ' LEU . 30.0 mt -119.87 -2.94 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.404 HD21 HD22 ' A' ' 89' ' ' LEU . 18.6 p30 170.0 42.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.91 -34.89 4.3 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.598 HG23 ' HD2' ' A' ' 77' ' ' PRO . 11.0 mm -63.22 139.31 97.54 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.598 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.2 Cg_endo -75.0 93.37 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.1 p -68.05 72.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -178.65 61.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -177.98 -39.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m -78.62 -169.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 85' ' ' GLU . 7.4 p -106.93 153.0 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 1.9 t80 -38.47 -35.17 0.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -50.22 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -48.16 -60.77 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.2 -54.74 35.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.411 ' ND2' ' CZ ' ' A' ' 83' ' ' PHE . 1.9 t-20 -48.35 -38.88 20.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 91' ' ' ARG . 2.3 tp-100 -65.06 -43.44 92.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.404 HD22 HD21 ' A' ' 74' ' ' ASN . 47.2 mt -43.23 -44.62 5.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.521 HD22 ' CD2' ' A' ' 29' ' ' PHE . 15.5 mt -69.54 -40.17 77.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' GLN . 4.5 mtp180 -61.63 -33.19 73.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.324 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -86.95 -46.04 10.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.6 m -43.85 -37.51 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.96 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.7 p -44.62 -30.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.7 mt -59.64 -67.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 98' ' ' LYS . 11.6 t -72.14 -5.28 34.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.359 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m 49.9 33.09 6.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.406 ' H ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -151.27 133.11 15.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.574 HG13 HD21 ' A' ' 101' ' ' LEU . 10.4 p -134.54 150.53 30.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.3 m -116.59 106.5 13.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.677 ' HB2' HG12 ' A' ' 19' ' ' VAL . 1.3 mm? -98.99 115.3 28.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -93.93 106.17 18.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' A' ' 16' ' ' THR . 4.3 mm -101.31 158.35 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.441 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.6 tt0 -134.24 127.0 30.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.467 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 4.9 p90 -128.61 179.38 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.7 p30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 p -120.52 150.3 41.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.382 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -119.27 -177.86 3.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -133.19 139.42 47.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.43 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.434 ' HB ' ' CE1' ' A' ' 105' ' ' PHE . 14.0 t -124.76 141.13 52.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.624 ' CD ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -95.58 120.5 35.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.1 t -99.27 117.1 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.624 HG23 ' CD ' ' A' ' 18' ' ' GLU . 42.5 t -105.83 104.52 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.537 HD13 HD11 ' A' ' 31' ' ' ILE . 15.3 mt -107.98 137.81 45.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.8 m -101.01 108.24 19.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' THR . . . -39.83 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.473 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -52.64 170.64 0.24 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.2 Cg_endo -75.03 -13.17 21.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.525 HG12 HG23 ' A' ' 27' ' ' THR . 19.5 t -131.04 -61.87 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.574 ' O ' ' C ' ' A' ' 28' ' ' GLY . 29.5 p -97.07 69.88 2.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.362 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.574 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -21.8 -78.61 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.575 1.172 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.995 ' CD2' HD12 ' A' ' 90' ' ' LEU . 19.5 m-30 -115.97 -28.44 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 56.03 59.34 10.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.537 HD11 HD13 ' A' ' 21' ' ' LEU . 10.1 mt -133.69 144.21 36.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.779 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.5 mm-40 -126.1 131.1 52.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 33' ' ' LEU . 2.4 mm? -92.76 155.43 17.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.629 ' CD ' HD12 ' A' ' 48' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -81.36 145.39 30.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.531 ' O ' HG22 ' A' ' 49' ' ' ILE . 12.1 mt -60.52 95.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLN . 9.7 t -54.98 -53.49 55.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.972 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.528 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 86.2 t80 -148.24 156.72 42.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.5 mt -118.46 104.46 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.81 152.6 1.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.66 161.34 14.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.79 17.7 4.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.39 169.8 6.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -18.96 18.51 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.66 ' O ' HD23 ' A' ' 64' ' ' LEU . . . -72.04 -22.61 61.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.42 -30.86 15.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -52.32 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.871 ' O ' HG13 ' A' ' 63' ' ' VAL . 11.7 p -58.6 -25.48 62.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 108.286 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 38.64 52.53 2.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.888 HG23 HD13 ' A' ' 64' ' ' LEU . 22.8 m -119.65 -6.49 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.888 HD13 HG23 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -97.33 137.95 35.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -111.37 141.36 45.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.528 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 11.0 mm -53.98 106.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 95.48 36.9 5.22 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.763 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.2 t0 -57.76 -160.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.502 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -137.74 55.06 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.619 ' CG1' HG21 ' A' ' 78' ' ' THR . 1.4 t -40.84 110.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.7 mmm -79.71 -22.18 43.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 76' ' ' ILE . . . -175.04 161.47 2.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.77 HG12 HD23 ' A' ' 101' ' ' LEU . 14.6 mt -126.51 104.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.449 ' ND2' ' OG ' ' A' ' 93' ' ' SER . 0.9 OUTLIER 66.64 16.29 10.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.23 -21.49 19.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.545 HG21 HD11 ' A' ' 89' ' ' LEU . 12.9 mm -62.45 130.31 93.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.4 Cg_endo -75.0 93.85 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.511 1.795 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.619 HG21 ' CG1' ' A' ' 70' ' ' VAL . 1.7 p -62.59 78.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 77' ' ' PRO . 20.1 tt0 -177.63 38.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.8 t0 178.88 59.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.424 ' HB3' ' CB ' ' A' ' 85' ' ' GLU . 14.5 m -164.24 -166.72 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.03 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.415 ' C ' ' N ' ' A' ' 84' ' ' GLU . 6.2 p -117.34 150.48 38.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.367 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.435 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 8.1 t80 -42.14 -26.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.05 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 82' ' ' THR . 7.2 mt-10 -75.96 -51.76 11.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.424 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 26.6 mm-40 -38.81 -66.65 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -44.03 -61.46 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.465 ' OD1' HD23 ' A' ' 33' ' ' LEU . 13.5 m-20 -44.49 -41.55 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.78 -44.09 86.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.545 HD11 HG21 ' A' ' 76' ' ' ILE . 18.8 mt -50.16 -35.26 25.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.995 HD12 ' CD2' ' A' ' 29' ' ' PHE . 4.4 mm? -70.65 -58.44 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -46.27 -48.73 17.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -60.43 3.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.449 ' OG ' ' ND2' ' A' ' 74' ' ' ASN . 44.8 m -44.45 -37.36 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.5 t -46.83 -24.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.0 mt -54.87 -60.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.8 t -74.54 -1.89 23.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.49 33.1 22.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.21 134.01 10.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.707 HG21 HD13 ' A' ' 90' ' ' LEU . 11.6 p -135.46 145.61 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.563 HG23 ' HG3' ' A' ' 18' ' ' GLU . 1.3 m -115.47 97.3 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.379 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.77 HD23 HG12 ' A' ' 73' ' ' ILE . 1.5 mt -92.63 115.79 28.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 1.3 tp10 -82.92 119.72 24.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 104' ' ' GLU . 8.9 mm -114.23 164.0 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.482 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.8 tt0 -132.05 127.36 35.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.492 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 3.1 p90 -132.86 178.12 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.38 135.08 54.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.435 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 14.1 mt-10 -118.5 145.09 45.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -103.01 139.98 37.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -114.7 146.4 40.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.46 ' HG3' HG23 ' A' ' 100' ' ' THR . 0.4 OUTLIER -105.84 123.08 47.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 t -112.0 107.74 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.617 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.2 p -90.24 105.8 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.3 mt -105.76 134.42 48.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.4 m -100.33 109.66 21.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.81 98.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.466 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -50.2 170.6 0.16 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.407 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.01 -14.75 21.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.528 1.804 . . . . 0.0 111.051 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 27' ' ' THR . 16.2 t -129.35 -62.42 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.562 ' O ' ' C ' ' A' ' 28' ' ' GLY . 33.8 p -96.26 69.66 2.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.09 -89.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.515 ' CD2' HD22 ' A' ' 90' ' ' LEU . 23.9 m-85 -112.0 -24.14 10.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.77 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 49.45 66.84 2.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 111.052 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.3 mt -133.99 145.44 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.498 ' C ' HD22 ' A' ' 33' ' ' LEU . 3.2 mt-30 -128.24 134.44 48.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.839 HD12 ' HB2' ' A' ' 47' ' ' PRO . 0.7 OUTLIER -101.77 165.3 11.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.839 ' HB2' HD12 ' A' ' 33' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.945 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.504 HD23 ' CA ' ' A' ' 67' ' ' GLY . 0.8 OUTLIER -38.73 138.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.6 mt -65.5 94.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.0 t -52.37 -58.61 6.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.521 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 89.9 t80 -148.13 158.46 44.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 111.038 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.9 mt -123.02 109.87 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.43 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -51.05 149.83 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.38 169.98 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.5 t0 45.02 28.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.25 164.96 13.61 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.44 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.04 -18.99 18.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.407 1.741 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.741 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -72.32 -43.26 64.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -75.46 -27.88 59.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -60.54 -46.4 90.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -42.98 82.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.252 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 82.35 -48.44 3.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.1 m -41.55 -30.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.741 HD12 ' O ' ' A' ' 58' ' ' ALA . 13.1 mt -74.41 107.52 6.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -102.19 154.37 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.521 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 6.0 mm -69.67 119.06 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.504 ' CA ' HD23 ' A' ' 48' ' ' LEU . . . 85.79 38.34 8.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.44 ' HB3' HD12 ' A' ' 103' ' ' ILE . 0.8 OUTLIER -82.09 -177.82 6.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.42 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -120.43 98.27 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 72' ' ' ALA . 9.7 p -96.63 123.2 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.402 ' O ' ' OG1' ' A' ' 78' ' ' THR . 5.6 mtp -86.95 -22.89 25.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.855 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -151.85 156.43 40.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.512 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 16.0 mt -119.41 1.62 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.9 p30 169.51 43.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.57 -33.75 4.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.605 HG23 ' HD2' ' A' ' 77' ' ' PRO . 19.6 mm -66.21 139.96 96.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.75 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.2 Cg_endo -74.97 98.67 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.515 1.798 . . . . 0.0 111.02 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.855 HG23 ' HA ' ' A' ' 72' ' ' ALA . 33.1 p -59.17 84.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.395 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.2 OUTLIER 179.16 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.69 -25.12 65.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.0 m -97.45 -164.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.4 p -114.65 165.39 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.432 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -52.83 -26.88 15.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.92 -45.5 64.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.3 -53.15 30.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.333 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.04 -59.41 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -53.46 -44.15 68.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -45.41 94.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.467 HD12 ' HB ' ' A' ' 73' ' ' ILE . 7.6 mt -42.13 -50.92 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.515 HD22 ' CD2' ' A' ' 29' ' ' PHE . 20.2 mt -57.86 -62.17 2.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -39.5 -39.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.791 ' O ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -78.57 -49.73 12.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -46.37 -26.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t -54.45 -39.61 67.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.791 HD12 ' O ' ' A' ' 92' ' ' ASP . 1.8 mp -44.75 -73.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.481 HG23 ' H ' ' A' ' 98' ' ' LYS . 6.9 t -62.03 -16.17 49.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.31 29.6 7.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.481 ' H ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -152.4 143.19 22.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.605 HG22 ' CD1' ' A' ' 101' ' ' LEU . 11.7 p -139.59 150.9 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.46 HG23 ' HG3' ' A' ' 18' ' ' GLU . 23.3 m -116.91 97.6 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.376 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.605 ' CD1' HG22 ' A' ' 99' ' ' VAL . 3.1 mp -92.26 110.6 22.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -91.33 104.29 16.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.44 HD12 ' HB3' ' A' ' 68' ' ' ASP . 18.6 mm -99.48 160.59 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -134.22 145.99 49.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 15' ' ' GLU . 34.8 p90 -143.83 -179.23 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.179 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 m -92.5 136.59 33.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.36 85.81 2.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.16 159.32 10.0 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 m -44.31 105.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 0.735 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -84.73 165.54 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.4 -115.01 0.8 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.5 85.17 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.29 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.11 89.46 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -77.14 153.48 34.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.756 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 12' ' ' VAL . 48.5 t -120.71 161.65 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 107' ' ' VAL . 9.9 p -80.75 163.16 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -95.98 166.33 11.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.617 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 p -128.24 144.05 51.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.47 177.43 4.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -130.8 140.83 50.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.441 HG22 ' HB ' ' A' ' 103' ' ' ILE . 15.2 t -125.92 141.61 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.5 122.33 40.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.866 HG11 HD11 ' A' ' 64' ' ' LEU . 8.3 t -95.6 120.51 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 20' ' ' VAL . 6.1 p -107.07 104.82 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.816 ' CD1' HD11 ' A' ' 31' ' ' ILE . 31.4 mt -109.4 132.36 54.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.6 m -98.95 110.38 23.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.27 99.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.45 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -57.69 164.2 3.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.0 2.89 6.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.627 HG23 ' H ' ' A' ' 27' ' ' THR . 5.0 m -141.66 -60.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.627 ' H ' HG23 ' A' ' 26' ' ' VAL . 10.5 p -103.8 69.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.395 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.7 -89.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -113.58 -28.42 7.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 44.86 65.01 1.94 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.816 HD11 ' CD1' ' A' ' 21' ' ' LEU . 19.2 mt -126.08 142.64 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 50' ' ' SER . 5.1 mm-40 -123.71 140.44 52.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.49 159.28 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.478 ' CD ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -114.52 133.96 55.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.494 ' CA ' HD21 ' A' ' 43' ' ' LEU . . . -175.67 -129.33 1.2 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.64 -176.12 5.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.987 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.4 p -103.57 -43.6 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -104.19 151.88 22.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -165.74 -169.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.243 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.3 m -106.86 -41.87 5.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.364 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.689 ' HG3' HG23 ' A' ' 42' ' ' THR . 2.4 pt-20 -151.02 -51.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.689 HG23 ' HG3' ' A' ' 41' ' ' GLU . 69.9 p -108.94 -133.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.355 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.494 HD21 ' CA ' ' A' ' 35' ' ' GLY . 13.8 tp -132.15 9.02 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.1 p 51.42 23.72 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.9 p 177.61 151.71 0.41 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.004 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.4 Cg_endo -74.97 147.58 34.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.78 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.789 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.3 Cg_endo -75.0 105.69 2.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.069 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.478 HD12 ' CD ' ' A' ' 34' ' ' GLN . 1.4 mt -97.87 148.09 23.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.915 HD12 ' OD2' ' A' ' 68' ' ' ASP . 21.6 mt -64.43 99.55 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.0 t -60.47 -56.44 21.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.511 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 76.9 t80 -146.36 154.82 42.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.683 HD11 HG21 ' A' ' 49' ' ' ILE . 19.3 mt -126.79 111.05 24.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.99 153.31 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.02 157.81 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 61.22 15.14 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.31 170.43 6.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.4 Cg_endo -75.01 -27.43 10.01 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.406 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . . . -69.3 -26.2 64.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 62' ' ' GLY . 6.1 tp10 -96.45 -41.0 8.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.31 -47.46 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 80.2 m -62.69 -40.86 98.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 108.27 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 70.79 4.94 55.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.143 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.6 m -85.02 -12.46 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.866 HD11 HG11 ' A' ' 19' ' ' VAL . 5.5 mt -98.5 104.47 16.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -86.74 159.15 19.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.34 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.511 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 4.7 mm -74.14 114.32 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.06 35.83 6.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.432 1.083 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.915 ' OD2' HD12 ' A' ' 49' ' ' ILE . 83.9 m-20 -64.41 -176.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.471 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -126.68 82.61 2.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.789 HG12 ' O ' ' A' ' 47' ' ' PRO . 9.6 p -73.29 117.63 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 56.0 mmm -89.29 -11.88 42.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 76' ' ' ILE . . . -175.97 161.57 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.6 mt -129.04 99.57 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.497 ' ND2' ' H ' ' A' ' 100' ' ' THR . 0.9 OUTLIER 68.48 26.23 6.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.17 -22.19 37.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.58 HG21 HD11 ' A' ' 89' ' ' LEU . 18.1 mm -61.4 125.88 85.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.2 Cg_endo -75.03 95.9 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -61.04 84.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.442 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -171.71 47.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.513 ' HA ' HG22 ' A' ' 42' ' ' THR . 1.3 t0 172.88 176.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.0 m 70.9 -163.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.1 p -112.35 154.92 24.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -44.34 -30.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.66 -44.31 94.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.33 -60.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.93 -47.19 74.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -55.71 -41.08 73.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -42.72 99.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.346 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.58 HD11 HG21 ' A' ' 76' ' ' ILE . 13.6 mt -45.44 -56.38 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.848 ' CD2' HG21 ' A' ' 99' ' ' VAL . 16.2 mt -49.84 -67.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 94' ' ' SER . 15.7 mtt180 -37.59 -59.48 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.558 ' OD1' HD12 ' A' ' 95' ' ' ILE . 11.3 t0 -50.99 -50.1 59.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.402 ' CB ' ' HB ' ' A' ' 99' ' ' VAL . 6.0 m -44.49 -32.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 91' ' ' ARG . 16.3 m -51.91 -32.55 33.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.034 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.558 HD12 ' OD1' ' A' ' 92' ' ' ASP . 13.5 mt -51.8 -65.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.2 t -69.65 -6.74 33.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.14 27.69 15.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.974 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -155.08 130.98 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.848 HG21 ' CD2' ' A' ' 90' ' ' LEU . 12.1 p -125.21 140.43 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.497 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 1.2 m -111.56 123.87 51.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.468 HD21 HD21 ' A' ' 90' ' ' LEU . 36.3 mt -118.93 119.65 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -85.7 106.18 16.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.441 ' HB ' HG22 ' A' ' 17' ' ' THR . 4.0 mm -101.25 163.12 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.2 tt0 -136.27 123.74 22.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.506 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.1 p90 -130.46 175.97 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.73 157.37 16.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.493 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 16.5 t -122.8 136.79 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.66 140.16 58.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.411 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.9 pt-20 -119.92 168.48 11.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 57.3 p -59.71 103.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 109' ' ' GLU . 8.8 p -165.16 141.39 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.634 HG23 ' HD2' ' A' ' 113' ' ' PRO . 4.7 mt -89.87 141.36 28.15 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.99 -175.78 2.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 t -94.67 140.03 30.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.959 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 98.5 p -71.53 109.32 5.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -165.03 -140.08 2.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.0 m -128.62 124.57 36.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.77 . . . . 0.0 109.98 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 156.11 -80.72 0.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.65 13.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 80.4 p -123.02 136.32 54.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.6 m -52.82 146.55 10.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.06 81.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.984 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -115.08 129.35 56.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.06 124.47 6.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -140.59 129.72 23.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 110.045 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.05 87.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.01 127.13 8.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.03 -61.96 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 0.737 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.73 -63.62 0.18 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -58.46 150.92 21.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 0.783 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 12' ' ' VAL . 92.1 t -122.37 161.51 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.437 ' N ' HG12 ' A' ' 11' ' ' VAL . 9.8 p -79.96 163.07 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -108.39 166.74 10.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -129.0 155.34 45.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.457 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.564 ' HG3' HG21 ' A' ' 107' ' ' VAL . 4.7 mt-10 -131.43 148.92 52.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.9 OUTLIER -105.96 154.15 20.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 t -140.09 146.16 38.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.403 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.496 ' CD ' HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -101.32 119.51 38.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.347 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.4 t -99.61 117.05 44.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.496 HG23 ' CD ' ' A' ' 18' ' ' GLU . 39.8 t -101.4 117.6 46.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.52 HD13 HD11 ' A' ' 31' ' ' ILE . 22.1 mt -119.07 131.04 55.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -98.94 110.88 23.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -45.05 100.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.445 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -57.08 163.78 2.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 2.5 6.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.607 HG23 ' H ' ' A' ' 27' ' ' THR . 4.9 m -141.4 -60.03 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.607 ' H ' HG23 ' A' ' 26' ' ' VAL . 8.3 p -104.32 69.63 0.93 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.63 -87.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 13.5 m-85 -116.67 -29.86 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.83 68.95 1.11 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.52 HD11 HD13 ' A' ' 21' ' ' LEU . 24.2 mt -134.99 141.66 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.753 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.565 ' C ' HD22 ' A' ' 33' ' ' LEU . 3.9 mm-40 -125.06 142.57 51.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.686 HD22 ' N ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -103.23 163.32 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.15 155.42 19.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.38 -142.05 9.51 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.3 173.39 1.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 0.794 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.2 m -116.19 -39.9 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -104.26 138.4 40.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -175.13 -163.33 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 m -127.26 -77.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.413 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.69 -33.97 9.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.4 p -125.95 -134.19 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.416 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' SER . 10.5 mt -94.13 10.98 31.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' LEU . 8.0 t 38.87 33.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 43' ' ' LEU . 2.8 p -178.01 157.79 1.14 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.1 Cg_endo -75.04 149.24 36.23 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.683 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.3 Cg_endo -75.02 106.99 2.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -89.62 147.77 23.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.762 HG21 HD11 ' A' ' 52' ' ' ILE . 30.5 mt -61.95 105.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' GLN . 12.5 t -65.79 -54.51 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.602 ' HA ' HD12 ' A' ' 66' ' ' ILE . 93.4 t80 -142.58 161.53 37.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.762 HD11 HG21 ' A' ' 49' ' ' ILE . 27.2 mt -135.41 106.56 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -49.99 153.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.53 163.66 15.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.2 t0 54.14 20.24 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.21 166.29 12.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.047 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -74.97 -19.38 17.97 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.532 1.806 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -74.5 -27.96 60.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' GLY . 5.9 tp10 -96.84 -41.4 8.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.414 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -43.39 -56.4 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.556 ' HB2' HG22 ' A' ' 63' ' ' VAL . 13.2 m -59.96 -33.02 71.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.273 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 61.56 16.53 50.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.556 HG22 ' HB2' ' A' ' 61' ' ' CYS . 28.4 m -90.48 0.76 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.467 HD11 HD11 ' A' ' 21' ' ' LEU . 2.1 mt -119.51 112.49 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -93.56 152.49 19.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' A' ' 51' ' ' TYR . 19.3 mm -65.62 101.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.04 32.31 3.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 34.0 p-10 -56.33 -168.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.41 53.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 47' ' ' PRO . 4.3 p -42.65 117.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.5 mmm -93.69 -16.83 23.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.608 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -175.72 157.44 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.568 HG12 HD23 ' A' ' 101' ' ' LEU . 94.9 mt -124.53 90.13 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.1 m-20 82.4 13.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.56 -26.7 9.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.618 HG23 ' HD2' ' A' ' 77' ' ' PRO . 4.1 mt -60.54 139.53 92.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.618 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.5 Cg_endo -74.93 112.19 3.5 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.608 HG23 ' HA ' ' A' ' 72' ' ' ALA . 3.0 p -79.48 67.81 5.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.336 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 178.13 38.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -166.83 58.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -179.86 -171.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 p -98.94 152.25 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -47.32 -27.9 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLN . 48.0 mt-10 -67.06 -43.98 81.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.78 -67.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.68 -55.85 12.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -53.32 -21.43 5.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -88.24 -35.54 17.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.454 HD11 HD12 ' A' ' 76' ' ' ILE . 16.0 mt -58.51 -16.85 17.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.804 HD23 HG21 ' A' ' 99' ' ' VAL . 18.8 mt -81.92 -55.01 4.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 92' ' ' ASP . 2.1 ptt180 -53.13 -20.37 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 91' ' ' ARG . 1.6 t0 -80.64 -65.02 1.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.689 ' OG ' HG23 ' A' ' 99' ' ' VAL . 10.3 m -39.44 -38.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.4 t -41.86 -29.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.401 ' N ' ' C ' ' A' ' 93' ' ' SER . 12.9 mt -56.38 -67.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 t -69.41 -6.42 29.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.18 25.46 8.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -151.28 132.17 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.804 HG21 HD23 ' A' ' 90' ' ' LEU . 9.9 p -126.97 144.24 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.3 m -110.1 143.22 40.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.568 HD23 HG12 ' A' ' 73' ' ' ILE . 39.2 mt -135.65 114.85 12.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -82.78 117.36 22.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 104' ' ' GLU . 11.8 mm -115.37 162.9 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.427 ' N ' HG22 ' A' ' 103' ' ' ILE . 5.2 tt0 -143.64 122.84 12.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 6.3 p90 -121.86 179.74 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -104.51 158.34 16.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.564 HG21 ' HG3' ' A' ' 15' ' ' GLU . 23.2 t -125.75 145.15 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.16 152.86 42.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -115.61 169.02 9.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 110.255 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.5 t -83.28 107.55 15.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.983 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.44 142.2 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.1 pt -60.95 154.06 62.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.85 21.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.1 p -162.98 139.87 7.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.61 139.29 2.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.29 -114.86 0.63 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.7 p -174.93 122.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.035 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -103.14 128.37 9.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 82.84 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.9 p -71.62 132.45 44.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.6 p -156.42 117.66 3.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 54.97 102.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -162.3 95.06 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.68 164.3 33.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -45.45 121.16 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.794 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 t -147.25 118.76 7.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.28 93.61 1.54 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.54 175.9 11.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.42 101.57 0.16 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -93.43 129.01 39.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.487 HG22 ' N ' ' A' ' 12' ' ' VAL . 14.4 p -156.91 167.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.85 HG23 ' HG2' ' A' ' 109' ' ' GLU . 9.7 p -119.96 163.07 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.424 ' CE1' ' HB ' ' A' ' 107' ' ' VAL . 55.8 p-80 -105.05 165.82 10.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.574 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.13 139.55 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 19.3 mt-10 -112.57 157.08 21.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -116.34 149.63 38.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.41 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.482 HG22 ' HB ' ' A' ' 103' ' ' ILE . 5.2 t -123.97 153.36 41.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.368 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -112.6 115.71 29.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.619 HG11 HD21 ' A' ' 64' ' ' LEU . 5.5 t -107.27 115.22 48.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 20' ' ' VAL . 4.8 p -102.21 118.9 49.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.806 HD11 ' CD1' ' A' ' 64' ' ' LEU . 48.2 mt -115.9 141.32 48.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.6 m -107.67 109.29 20.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.79 99.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.449 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -58.44 164.01 4.28 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -75.01 2.95 6.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.631 HG23 ' H ' ' A' ' 27' ' ' THR . 5.7 m -140.61 -60.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.631 ' H ' HG23 ' A' ' 26' ' ' VAL . 34.4 p -104.6 69.38 0.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.446 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.83 -87.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.096 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -114.9 -30.64 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.999 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.61 66.67 2.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.648 HD11 ' CD1' ' A' ' 21' ' ' LEU . 14.6 mt -134.54 142.37 40.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 50' ' ' SER . 5.3 mp0 -126.95 141.53 51.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 mt -111.96 160.91 16.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -112.42 165.48 12.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -159.74 -159.86 10.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.06 -177.03 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.027 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 m -110.38 -35.05 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.594 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 1.1 p90 -121.01 152.57 38.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 38' ' ' PHE . . . 169.59 -174.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.7 m -76.4 -78.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.36 -59.61 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.532 HG23 ' N ' ' A' ' 43' ' ' LEU . 7.1 t -122.82 -135.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.532 ' N ' HG23 ' A' ' 42' ' ' THR . 10.1 mt -87.45 12.67 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 38.72 38.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.949 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 173.08 170.01 0.25 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -74.99 148.27 35.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.709 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.02 94.44 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.564 1.823 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.787 HD23 ' O ' ' A' ' 68' ' ' ASP . 1.2 mt -74.04 130.52 39.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.962 HD12 ' OD2' ' A' ' 68' ' ' ASP . 41.3 mt -51.02 112.26 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.8 t -67.83 -52.78 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 86.5 t80 -141.4 158.43 43.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.491 ' CG1' HG21 ' A' ' 49' ' ' ILE . 71.0 mt -128.21 111.56 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.46 151.12 2.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.36 163.63 18.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 t0 49.48 23.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 p -102.05 163.91 16.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.498 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.93 -16.15 20.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.428 1.752 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.492 ' HA ' HD12 ' A' ' 64' ' ' LEU . . . -77.04 -28.26 54.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -97.23 -27.65 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 3.2 mtt180 -54.05 -53.15 57.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.3 m -60.46 -43.89 96.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.288 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.31 -19.9 24.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.9 m -57.55 -38.25 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.806 ' CD1' HD11 ' A' ' 21' ' ' LEU . 32.1 mt -78.05 98.79 5.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 66' ' ' ILE . 20.9 tp60 -92.96 146.92 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.2 mm -51.92 113.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 93.08 35.92 6.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.962 ' OD2' HD12 ' A' ' 49' ' ' ILE . 39.8 m-20 -59.38 -175.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.481 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -120.88 55.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.834 ' HA ' HD13 ' A' ' 103' ' ' ILE . 9.8 p -58.48 90.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 102' ' ' GLU . 69.5 mmm -70.08 -28.42 65.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.816 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -152.9 164.32 38.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.648 HG13 HG21 ' A' ' 78' ' ' THR . 92.1 mt -131.89 104.16 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 71.35 7.86 6.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.08 -15.18 21.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 77' ' ' PRO . 4.3 mt -72.28 141.09 83.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.453 0.737 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.0 119.28 5.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.816 HG23 ' HA ' ' A' ' 72' ' ' ALA . 82.5 p -95.75 62.05 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -172.85 64.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.5 t0 176.66 -44.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -170.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 p -96.8 155.85 16.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -51.48 -30.33 19.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -66.81 -34.97 78.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.21 -68.37 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.66 -48.52 2.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -55.51 -52.26 64.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -46.68 68.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.535 HD22 HD12 ' A' ' 76' ' ' ILE . 24.7 mt -40.22 -49.45 2.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.585 ' CD2' HG21 ' A' ' 99' ' ' VAL . 14.3 mt -61.63 -59.58 4.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -34.66 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.87 -48.11 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.1 -37.27 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.047 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.37 -28.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 96' ' ' THR . 15.8 mt -54.7 -72.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.473 ' N ' HG22 ' A' ' 95' ' ' ILE . 13.1 t -67.99 -8.13 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.22 27.19 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.059 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.21 147.97 29.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.585 HG21 ' CD2' ' A' ' 90' ' ' LEU . 8.5 p -148.53 139.36 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.6 m -111.33 105.87 14.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 110.448 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.566 HD12 HG21 ' A' ' 70' ' ' VAL . 2.9 mm? -92.37 114.22 26.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 71' ' ' MET . 6.3 tt0 -90.79 114.95 27.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.834 HD13 ' HA ' ' A' ' 70' ' ' VAL . 3.8 mm -109.82 167.37 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.455 ' N ' HG22 ' A' ' 103' ' ' ILE . 3.9 tt0 -141.19 124.42 16.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 1.2 p90 -121.17 -179.6 4.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.4 146.41 33.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.424 ' HB ' ' CE1' ' A' ' 13' ' ' HIS . 4.0 t -108.66 149.16 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.39 144.38 49.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.85 ' HG2' HG23 ' A' ' 12' ' ' VAL . 16.0 mm-40 -93.55 165.84 12.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.0 m -65.85 99.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.7 147.48 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.617 HG23 ' HD2' ' A' ' 113' ' ' PRO . 18.4 mm -43.55 141.15 2.16 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.617 ' HD2' HG23 ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.98 139.46 24.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.62 109.54 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 85.6 p -121.84 167.97 12.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -112.85 -106.08 2.77 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.6 p -127.44 119.3 25.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.985 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 176.6 -147.01 8.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 170.14 21.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.06 -65.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.6 m -136.71 -63.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.035 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -121.92 164.06 18.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 110.019 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.6 t 63.23 138.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.47 -60.08 0.17 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -54.93 151.59 8.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 110.003 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -141.83 128.61 20.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.0 -132.57 1.59 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.78 -66.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.43 94.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -94.39 128.95 41.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.51 HG22 ' N ' ' A' ' 12' ' ' VAL . 14.1 p -156.05 169.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.51 ' N ' HG22 ' A' ' 11' ' ' VAL . 7.9 p -105.74 163.5 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -112.49 163.86 13.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.78 141.34 50.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -121.26 158.87 27.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.4 OUTLIER -109.23 147.47 32.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 t -124.75 157.16 36.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.717 ' HG3' HG23 ' A' ' 100' ' ' THR . 21.2 tt0 -107.73 119.15 38.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.461 HG11 HD21 ' A' ' 64' ' ' LEU . 8.2 t -96.06 118.63 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 20' ' ' VAL . 5.7 p -105.02 120.46 55.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.457 HD22 ' O ' ' A' ' 57' ' ' PRO . 21.2 mt -128.14 135.84 50.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.0 m -98.62 111.15 23.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.67 98.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.446 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.41 169.77 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.6 Cg_endo -74.95 -13.87 21.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.551 HG12 HG23 ' A' ' 27' ' ' THR . 16.7 t -129.82 -61.36 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 28' ' ' GLY . 17.4 p -97.84 69.5 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.575 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -19.59 -90.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -105.74 -24.45 12.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.53 65.61 3.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 58' ' ' ALA . 20.8 mt -138.2 145.71 28.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.5 mm100 -121.54 146.51 46.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mt -115.98 164.45 14.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.45 137.02 53.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.7 -127.97 2.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.624 ' HB3' ' HB2' ' A' ' 39' ' ' ALA . 11.9 t -144.7 154.61 42.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 110.04 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m -43.8 -49.69 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.542 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 30.3 m-85 -136.03 -48.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.624 ' HB2' ' HB3' ' A' ' 36' ' ' SER . . . 73.57 154.49 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.4 m -76.8 -79.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.95 -67.2 0.91 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.425 HG21 ' O ' ' A' ' 80' ' ' ASP . 73.2 p -119.98 -134.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 45' ' ' SER . 20.9 tp -124.76 6.85 8.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER 37.72 31.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.976 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER 178.0 160.89 0.6 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.0 151.2 39.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -74.95 114.09 3.95 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.447 1.762 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 1.9 mt -94.39 138.89 31.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.458 ' CD1' ' OD2' ' A' ' 68' ' ' ASP . 32.1 mt -53.87 109.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 32' ' ' GLN . 7.4 t -72.14 -50.39 28.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.519 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 62.3 t80 -149.49 149.77 31.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.6 mt -113.64 107.59 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' HA ' ' CE2' ' A' ' 51' ' ' TYR . 1.8 mp0 -51.05 158.73 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.22 163.36 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.1 t0 53.6 20.68 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 p -101.09 161.24 24.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.457 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.1 Cg_endo -75.06 -18.59 18.47 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.477 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -74.25 -23.98 59.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -94.85 -31.68 13.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.94 -47.82 79.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.419 ' HB3' HG22 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -58.95 -42.55 90.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.276 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.41 30.33 77.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.419 HG22 ' HB3' ' A' ' 61' ' ' CYS . 15.5 m -108.09 -6.18 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 58' ' ' ALA . 1.4 mt -106.77 134.87 49.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -114.79 148.83 37.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 13.0 mm -59.45 110.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 95.99 25.21 13.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.483 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 44.2 p-10 -52.34 -179.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.27 77.89 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.655 HG21 HG12 ' A' ' 73' ' ' ILE . 10.8 p -70.82 112.69 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.05 -26.68 53.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.61 155.9 29.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.662 HG13 HG21 ' A' ' 78' ' ' THR . 16.2 mt -129.21 103.84 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.39 10.93 4.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.95 -17.9 29.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 5.8 mm -65.07 135.72 96.43 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.3 Cg_endo -75.01 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.444 1.76 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.662 HG21 HG13 ' A' ' 73' ' ' ILE . 18.3 p -87.83 93.67 9.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 176.83 39.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.425 ' O ' HG21 ' A' ' 42' ' ' THR . 0.4 OUTLIER -175.89 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -177.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.6 p -98.11 149.83 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -46.92 -32.35 3.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -63.31 -39.17 93.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.506 ' OE1' HD21 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -54.79 -66.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.42 -46.27 2.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.43 -58.83 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.37 -46.91 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.506 HD21 ' OE1' ' A' ' 85' ' ' GLU . 16.3 mt -42.12 -59.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.639 ' CD2' HG21 ' A' ' 99' ' ' VAL . 13.6 mt -46.63 -65.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -40.04 -52.23 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -57.6 -53.62 56.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 m -48.08 -30.98 4.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 p -55.29 -20.08 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.011 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.8 mt -63.12 -67.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.466 HG23 ' H ' ' A' ' 98' ' ' LYS . 5.0 t -65.42 -11.33 41.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.16 23.43 5.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.466 ' H ' HG23 ' A' ' 96' ' ' THR . 0.1 OUTLIER -149.97 132.15 15.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.639 HG21 ' CD2' ' A' ' 90' ' ' LEU . 11.4 p -122.08 144.84 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.717 HG23 ' HG3' ' A' ' 18' ' ' GLU . 1.2 m -120.14 103.54 9.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.1 mt -98.8 121.12 40.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -88.27 103.83 16.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.525 HG22 ' N ' ' A' ' 104' ' ' GLU . 21.9 mm -100.43 167.18 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.525 ' N ' HG22 ' A' ' 103' ' ' ILE . 4.3 tt0 -134.57 135.75 42.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.547 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.3 p90 -134.68 178.68 6.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -102.44 149.14 24.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.486 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 16.8 t -122.56 148.82 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.86 126.16 35.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -111.69 159.93 17.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.25 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.0 t -71.9 103.23 3.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.8 p -149.55 162.17 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.9 pp -60.66 111.23 3.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 155.26 42.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.447 1.762 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.4 t -171.38 -55.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.7 p -68.42 125.18 25.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.022 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 121.6 -134.5 10.01 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.1 p -165.16 130.8 2.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -41.34 119.28 1.57 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.547 1.154 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 111.28 3.29 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -59.4 5.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.7 m -72.42 -61.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m 42.07 90.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.771 . . . . 0.0 109.997 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.67 90.47 5.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.05 -173.19 39.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.16 98.54 9.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 p -81.71 157.73 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.003 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.65 -119.12 0.08 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.414 1.071 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -111.7 176.67 4.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.731 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.28 -117.15 2.57 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -177.38 -149.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 0.793 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.1 t 73.02 152.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 107' ' ' VAL . 9.8 p -81.73 163.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -110.58 165.31 11.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.582 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.68 142.76 51.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.395 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -125.83 153.11 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.6 OUTLIER -103.88 158.58 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.425 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 t -137.06 165.86 25.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -115.13 116.13 27.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.668 HG11 HD21 ' A' ' 64' ' ' LEU . 6.3 t -99.53 109.88 25.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.9 p -99.25 118.43 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.545 HD11 HD11 ' A' ' 64' ' ' LEU . 22.6 mt -118.6 132.12 56.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.1 m -95.25 105.6 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.372 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -41.23 98.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.467 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -51.43 170.22 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -74.99 -13.58 21.38 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.779 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.514 HG12 HG23 ' A' ' 27' ' ' THR . 16.7 t -130.53 -60.96 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.544 ' O ' ' C ' ' A' ' 28' ' ' GLY . 23.1 p -96.95 68.88 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -24.29 -86.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.45 1.093 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 14.7 m-85 -115.8 -27.77 6.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.88 68.25 1.57 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.1 mt -134.97 143.46 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.64 136.38 53.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.727 HD12 ' HB2' ' A' ' 47' ' ' PRO . 1.1 mm? -97.64 159.92 14.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -121.5 146.84 46.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.09 -148.74 22.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.5 t -161.04 176.34 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.003 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.93 -47.33 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -100.24 135.37 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -169.86 -158.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.6 m -128.14 -62.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -118.69 -38.0 3.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.535 HG21 ' HA ' ' A' ' 80' ' ' ASP . 78.8 p -128.76 -134.42 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 mt -94.65 12.32 28.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 45' ' ' SER . 0.1 OUTLIER 39.85 37.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.6 OUTLIER 165.34 166.89 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 162.05 37.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.727 ' HB2' HD12 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -75.05 103.64 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.768 . . . . 0.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 11.8 mt -77.43 129.81 36.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.432 HD12 ' OD2' ' A' ' 68' ' ' ASP . 7.8 mt -49.73 117.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -46.03 23.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.506 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 84.3 t80 -151.2 156.99 42.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.89 107.84 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.92 153.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -88.08 169.53 11.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 45.78 26.19 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 54' ' ' ALA . 3.3 p -108.91 163.12 17.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.022 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.437 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -74.98 -23.61 13.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.515 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -69.74 -24.65 63.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.16 -22.81 17.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 3.0 mtt180 -66.01 -43.79 86.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -43.19 88.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 108.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 84.13 -48.67 4.09 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.1 m -42.39 -29.67 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.668 HD21 HG11 ' A' ' 19' ' ' VAL . 20.4 mt -76.93 98.82 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -96.15 149.09 22.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.0 mm -58.93 116.83 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.9 24.29 25.58 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.455 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 41.4 p-10 -49.58 174.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.405 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -123.96 70.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.646 ' HA ' HD13 ' A' ' 103' ' ' ILE . 14.1 p -66.69 121.24 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.428 ' SD ' ' CB ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -87.39 -20.87 26.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 76' ' ' ILE . . . -161.59 144.75 12.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.428 ' HB ' HD12 ' A' ' 89' ' ' LEU . 46.7 mt -113.61 104.15 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.482 ' ND2' HG23 ' A' ' 99' ' ' VAL . 1.2 m-80 68.7 23.66 7.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.66 -28.02 17.24 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.519 ' CD1' ' N ' ' A' ' 76' ' ' ILE . 1.2 mp -63.15 124.62 84.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.569 0.805 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.57 2.87 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 78' ' ' THR . 14.4 t -53.48 99.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 178.12 49.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.535 ' HA ' HG21 ' A' ' 42' ' ' THR . 14.9 t70 -179.75 -48.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.63 177.47 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.056 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 p -88.14 161.94 17.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -58.12 -28.88 65.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.54 -38.67 87.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -48.88 -62.87 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.45 -57.72 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -47.34 -44.9 24.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.494 HE21 ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -63.93 -43.76 94.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.428 HD12 ' HB ' ' A' ' 73' ' ' ILE . 7.5 mt -49.14 -29.54 5.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.949 ' CD2' HG21 ' A' ' 99' ' ' VAL . 21.4 mt -86.53 -59.03 2.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.9 mtp85 -39.84 -57.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.5 -44.51 93.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.0 -24.77 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 t -62.26 -13.62 30.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.5 mt -66.68 -60.82 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 98' ' ' LYS . 10.2 t -75.35 -5.99 47.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.97 23.01 12.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.415 ' H ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -148.08 141.51 25.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.949 HG21 ' CD2' ' A' ' 90' ' ' LEU . 12.1 p -140.48 141.59 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 74' ' ' ASN . 93.3 m -114.9 127.27 55.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.8 mt -116.52 120.42 38.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 29.6 tt0 -84.2 104.63 14.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.646 HD13 ' HA ' ' A' ' 70' ' ' VAL . 39.4 mm -105.54 167.3 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.533 ' N ' HG22 ' A' ' 103' ' ' ILE . 3.3 tt0 -146.02 128.15 15.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 8.2 p90 -127.95 176.65 7.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.153 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -93.35 143.42 26.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.497 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 73.7 t -110.08 148.91 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -78.21 139.75 38.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -104.31 159.39 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.3 m -60.28 101.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.047 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.3 m -71.82 145.8 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.622 HG23 ' HD2' ' A' ' 113' ' ' PRO . 52.0 mt -49.99 139.89 16.89 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.622 ' HD2' HG23 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.03 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.5 t -60.61 102.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.961 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.79 149.84 22.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -149.0 132.31 4.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.107 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.74 156.94 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.76 . . . . 0.0 110.007 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -137.47 81.34 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.28 9.85 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.3 p -113.61 123.85 50.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.2 p -163.23 94.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.449 1.093 . . . . 0.0 110.947 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -160.79 121.4 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -85.8 142.81 28.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.98 -163.0 1.6 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -143.55 166.86 23.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 109.96 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 p -163.45 145.16 9.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.34 55.04 0.54 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.45 150.45 38.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.28 63.77 0.24 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.718 ' O ' HG12 ' A' ' 11' ' ' VAL . 4.8 mt-30 -49.37 178.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 0.0 110.349 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.718 HG12 ' O ' ' A' ' 10' ' ' GLN . 7.8 p 50.52 174.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.624 ' H ' HG22 ' A' ' 11' ' ' VAL . 8.4 p -94.12 161.49 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -98.39 164.96 12.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.566 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -130.85 143.03 50.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.374 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.471 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 24.6 mt-10 -120.25 153.74 35.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -108.57 150.67 27.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 t -128.64 152.22 48.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.406 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -104.25 125.24 50.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.69 HG11 HD21 ' A' ' 64' ' ' LEU . 4.1 t -115.12 120.97 66.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 20' ' ' VAL . 6.4 p -106.57 115.24 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.652 HD11 HD11 ' A' ' 64' ' ' LEU . 31.2 mt -114.02 138.99 49.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.2 m -104.06 108.87 20.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.68 97.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.464 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.84 169.56 0.21 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -74.99 -13.33 21.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.549 HG12 HG23 ' A' ' 27' ' ' THR . 17.9 t -129.54 -60.41 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.561 ' O ' ' C ' ' A' ' 28' ' ' GLY . 24.4 p -99.02 69.63 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.59 -90.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 26.3 m-85 -114.72 -22.44 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.08 70.42 0.7 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.429 ' CD1' HD21 ' A' ' 101' ' ' LEU . 14.9 mt -134.64 143.36 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -122.63 135.64 54.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.484 HD13 ' HB1' ' A' ' 86' ' ' ALA . 2.3 mt -113.52 156.85 22.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.42 159.82 23.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.45 -148.5 6.42 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.49 170.64 19.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.771 . . . . 0.0 110.052 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.3 m -88.15 -33.78 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.152 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -86.75 130.14 34.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 42' ' ' THR . . . -169.53 -172.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.0 m -116.28 -84.22 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.417 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.77 -47.51 5.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.254 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.684 HG23 ' H ' ' A' ' 44' ' ' SER . 5.8 t -126.3 -136.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.517 ' N ' ' OG1' ' A' ' 42' ' ' THR . 11.4 tp -98.75 8.98 44.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.684 ' H ' HG23 ' A' ' 42' ' ' THR . 0.5 OUTLIER 46.35 27.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.48 161.01 0.24 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.16 42.46 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.774 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.447 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.4 Cg_endo -74.98 108.96 2.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 68' ' ' ASP . 71.9 mt -81.73 131.99 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.1 mt -59.1 96.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -57.72 -53.21 60.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.515 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 89.6 t80 -151.12 157.73 43.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.448 HG22 ' HB2' ' A' ' 59' ' ' GLU . 35.6 mt -123.12 111.05 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.27 151.75 2.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.97 159.34 17.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.21 19.05 4.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.35 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.25 163.37 18.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.502 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.2 Cg_endo -75.02 -19.51 17.72 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.803 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.617 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -75.24 -25.84 58.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 109.239 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.448 ' HB2' HG22 ' A' ' 52' ' ' ILE . 5.8 tp10 -93.99 -23.27 18.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -65.98 -42.8 89.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.408 ' HB3' HG22 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -59.1 -43.55 91.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 108.256 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 84.77 -45.53 3.53 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.408 HG22 ' HB3' ' A' ' 61' ' ' CYS . 15.1 m -44.22 -27.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.76 . . . . 0.0 109.297 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.69 HD21 HG11 ' A' ' 19' ' ' VAL . 18.9 mt -80.92 105.81 12.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -98.33 161.54 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.515 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.6 mm -72.55 119.59 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.84 39.68 13.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.431 1.082 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.752 ' O ' HD23 ' A' ' 48' ' ' LEU . 4.8 t0 -77.89 -178.77 5.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 0.769 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.472 ' CZ ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -116.77 89.5 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.617 HG22 ' O ' ' A' ' 72' ' ' ALA . 8.6 p -87.31 112.95 23.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.2 mtp -83.56 -9.97 58.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.915 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -163.66 150.84 12.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.515 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 24.3 mt -113.41 2.08 8.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 p30 170.18 43.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.04 -41.29 2.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 2.5 mt -64.5 140.36 97.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 0.731 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.0 107.84 2.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.915 HG23 ' HA ' ' A' ' 72' ' ' ALA . 48.6 p -74.4 75.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -178.64 52.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -156.58 -55.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -173.37 2.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.8 p -80.47 162.08 24.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -58.74 -31.98 68.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -63.22 -35.0 78.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.71 -53.87 41.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 110.353 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.484 ' HB1' HD13 ' A' ' 33' ' ' LEU . . . -49.38 -56.37 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -51.93 -34.42 41.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.34 -38.6 74.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.1 mt -52.27 -44.69 65.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.29 -43.16 82.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -30.22 71.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.17 -47.06 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 95' ' ' ILE . 75.4 m -42.08 -41.08 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.047 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.3 t -42.25 -29.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.409 ' N ' ' C ' ' A' ' 93' ' ' SER . 17.5 mt -52.13 -68.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.9 t -71.98 -5.75 37.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.02 25.53 15.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -149.09 153.3 37.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.582 HG22 ' CD1' ' A' ' 101' ' ' LEU . 7.5 p -145.31 152.19 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.9 m -120.56 97.32 5.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.421 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.582 ' CD1' HG22 ' A' ' 99' ' ' VAL . 2.8 mp -93.1 112.04 23.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 1.8 tt0 -90.25 106.55 18.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 104' ' ' GLU . 10.6 mm -98.97 163.65 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.472 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.7 tt0 -132.89 133.75 43.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.492 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.8 p90 -134.15 176.03 8.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.23 158.98 16.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 55.5 t -130.34 142.02 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.3 142.76 54.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -95.97 167.32 11.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 75.1 m -107.91 98.25 7.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.9 t -127.69 136.68 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 pt -58.89 145.34 79.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 91.01 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.3 t -73.49 -63.95 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.6 m -61.6 153.72 27.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.38 169.93 12.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 64.9 m 62.41 155.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 109.986 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 160.74 149.34 5.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.37 21.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 92.4 p -99.28 150.32 22.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.7 p -136.84 151.15 48.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.58 152.65 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 109.966 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -103.91 -56.46 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.75 148.0 39.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.448 ' OG ' ' N ' ' A' ' 6' ' ' SER . 15.7 p -91.92 -64.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.03 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.448 ' N ' ' OG ' ' A' ' 5' ' ' SER . 7.8 t -173.6 169.99 4.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.77 -55.74 3.23 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 62.49 139.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.85 103.71 0.17 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.34 133.17 35.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.249 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.518 HG22 ' H ' ' A' ' 12' ' ' VAL . 10.9 p -163.15 170.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.518 ' H ' HG22 ' A' ' 11' ' ' VAL . 9.3 p -85.57 163.05 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -112.14 163.58 14.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.611 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.28 139.42 49.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -119.72 150.82 39.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -102.73 148.15 25.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.454 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 t -127.18 152.45 47.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -116.84 115.73 26.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.74 HG11 HD21 ' A' ' 64' ' ' LEU . 3.8 p -95.7 137.91 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.459 HG23 ' HG2' ' A' ' 98' ' ' LYS . 14.8 p -114.37 114.42 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.906 HD11 HD11 ' A' ' 64' ' ' LEU . 16.1 mt -117.3 133.51 55.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.1 m -98.33 107.02 19.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 110.369 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.8 98.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.451 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.8 170.81 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.01 -14.98 20.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.539 HG12 HG23 ' A' ' 27' ' ' THR . 14.2 t -129.29 -61.27 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.584 ' O ' ' C ' ' A' ' 28' ' ' GLY . 22.3 p -96.76 68.73 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.445 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -20.22 -89.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -108.58 -26.29 10.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.4 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 52.34 67.1 2.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.455 HD11 HD13 ' A' ' 21' ' ' LEU . 14.0 mt -136.55 149.18 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.6 mm100 -126.94 142.45 51.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.1 159.72 23.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.523 ' OE1' HD12 ' A' ' 48' ' ' LEU . 1.5 pt20 -105.17 137.8 42.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -116.12 -127.41 4.1 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.2 t -147.03 159.8 43.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 0.729 . . . . 0.0 110.022 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.531 HG23 ' H ' ' A' ' 38' ' ' PHE . 12.7 m -42.05 -56.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.531 ' H ' HG23 ' A' ' 37' ' ' VAL . 40.4 m-85 -133.85 6.16 3.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 38' ' ' PHE . . . 39.19 88.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.5 m -43.38 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -124.75 -43.44 2.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.345 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.2 p -135.95 -133.44 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.432 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.417 ' C ' ' N ' ' A' ' 45' ' ' SER . 26.1 tp -130.79 5.78 4.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m 39.07 31.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER 169.55 167.62 0.17 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.68 38.33 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 118.17 5.17 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.788 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.523 HD12 ' OE1' ' A' ' 34' ' ' GLN . 9.5 mt -91.92 147.26 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.466 HD12 ' OD2' ' A' ' 68' ' ' ASP . 55.0 mt -65.06 95.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' GLN . 5.9 t -57.03 -57.56 12.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 58.7 t80 -144.45 157.54 44.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 33.9 mt -124.49 110.31 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.423 ' HA ' ' CE2' ' A' ' 51' ' ' TYR . 1.9 mp0 -50.24 156.09 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -90.52 167.25 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 48.23 24.7 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -104.01 165.1 14.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -20.58 16.91 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.89 -26.09 60.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -93.98 -24.56 17.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -53.91 51.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.2 m -60.49 -43.29 97.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 108.28 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.58 -5.94 59.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.1 m -69.81 -28.83 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.805 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.906 HD11 HD11 ' A' ' 21' ' ' LEU . 24.5 mt -81.56 106.23 13.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -96.62 150.29 20.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.6 mm -60.4 122.34 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.58 52.44 5.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.052 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.469 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 65.9 m-20 -85.23 -176.72 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.8 90.52 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.595 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.6 p -82.23 107.53 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 102' ' ' GLU . 1.4 mtp -74.34 -30.22 61.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -155.83 163.56 39.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.511 ' HB ' HD12 ' A' ' 89' ' ' LEU . 50.9 mt -137.71 101.29 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 100' ' ' THR . 0.5 OUTLIER 73.47 12.55 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.37 -19.08 24.83 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.434 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 12.3 mm -65.47 130.33 94.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.551 0.794 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.2 Cg_endo -75.0 106.0 2.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.764 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 p -92.84 90.16 6.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -175.78 39.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -179.71 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.92 -176.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.974 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.2 p -103.88 150.22 24.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -45.75 -35.15 4.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.57 -36.81 76.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.526 ' OE2' HD21 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -55.01 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.27 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' GLU . . . -40.33 -49.67 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -55.06 -47.35 74.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -57.59 -44.02 85.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.338 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.526 HD21 ' OE2' ' A' ' 85' ' ' GLU . 13.6 mt -47.55 -58.56 4.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.759 ' CD2' HG21 ' A' ' 99' ' ' VAL . 17.1 mt -49.54 -56.87 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -25.22 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.753 ' OD1' HD12 ' A' ' 95' ' ' ILE . 8.6 t0 -88.36 -47.41 8.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.6 m -51.19 -25.44 5.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.5 t -58.39 -34.0 70.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.753 HD12 ' OD1' ' A' ' 92' ' ' ASP . 16.6 mt -48.83 -71.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.412 ' N ' HG22 ' A' ' 95' ' ' ILE . 5.4 t -64.66 -11.67 37.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.81 25.48 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.459 ' HG2' HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -150.63 135.73 17.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.759 HG21 ' CD2' ' A' ' 90' ' ' LEU . 8.9 p -124.06 143.74 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 74' ' ' ASN . 1.0 OUTLIER -118.82 107.34 13.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.611 ' HB2' HG12 ' A' ' 19' ' ' VAL . 1.3 mm? -103.07 121.43 42.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 71' ' ' MET . 31.8 tt0 -92.34 106.93 18.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 104' ' ' GLU . 15.3 mm -102.01 167.2 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.515 ' N ' HG22 ' A' ' 103' ' ' ILE . 3.0 tt0 -144.32 126.62 15.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 5.4 p90 -127.58 179.22 5.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.72 143.49 26.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 38.2 t -120.39 146.1 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -77.25 135.12 38.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.51 164.53 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.24 98.28 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.1 p -128.09 135.32 63.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.4 pt -55.87 109.3 1.55 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 108.62 2.76 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.88 127.04 45.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.2 m -173.87 107.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -94.69 -53.02 1.73 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.42 170.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 141.02 124.55 2.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.53 36.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.519 1.799 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.0 m -73.01 167.21 21.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.2 t -148.7 156.07 41.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.957 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.21 169.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 t 62.77 152.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.967 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.16 -157.4 7.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.435 1.085 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -160.16 169.74 22.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 109.943 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.2 p -177.1 137.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.23 -168.4 35.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.77 177.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.39 -51.11 1.26 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.421 1.076 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -50.25 136.24 20.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 0.764 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.522 HG22 ' N ' ' A' ' 12' ' ' VAL . 13.2 p -170.12 170.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.522 ' N ' HG22 ' A' ' 11' ' ' VAL . 7.8 p -99.06 163.25 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -110.62 164.01 13.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.592 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.09 143.31 51.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 32.5 mt-10 -115.86 152.2 33.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 104' ' ' GLU . 0.8 OUTLIER -118.41 140.27 50.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.445 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.0 t -117.56 150.81 38.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.36 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.699 ' HG3' HG23 ' A' ' 100' ' ' THR . 17.5 tt0 -109.14 116.46 31.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.954 HG11 HD11 ' A' ' 64' ' ' LEU . 5.6 t -104.35 115.64 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.472 ' C ' HD13 ' A' ' 21' ' ' LEU . 66.1 t -104.22 99.74 9.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.725 HD11 HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -95.24 101.69 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' ASP . 2.0 m -66.7 100.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 22' ' ' THR . . . -35.03 97.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.484 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -59.85 166.36 3.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -74.98 0.67 8.61 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.618 HG12 HG23 ' A' ' 27' ' ' THR . 17.7 t -142.35 -57.56 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.618 HG23 HG12 ' A' ' 26' ' ' VAL . 21.1 p -104.65 70.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.413 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -25.75 -84.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.799 ' CD1' HG12 ' A' ' 99' ' ' VAL . 16.4 m-85 -115.64 -23.5 8.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.423 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 51.23 60.21 7.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.679 HD11 HD23 ' A' ' 21' ' ' LEU . 13.9 mt -129.75 145.96 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' SER . 2.1 mm100 -127.3 138.43 53.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mt -114.29 158.21 21.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.523 ' OE1' HD12 ' A' ' 48' ' ' LEU . 5.1 pt20 -106.52 147.39 29.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.1 174.99 21.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 p -132.35 134.84 45.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.963 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.6 t -54.69 -57.96 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -75.14 92.22 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -164.33 106.04 0.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.5 m -49.95 -84.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.702 ' O ' HG23 ' A' ' 42' ' ' THR . 1.9 mt-10 -146.13 27.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 41' ' ' GLU . 1.6 p -160.54 117.42 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.5 mt -82.18 6.18 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 38.73 35.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 p -177.27 154.39 1.1 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.997 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.01 148.2 34.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.79 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.883 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.3 Cg_endo -75.02 126.88 10.25 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.523 HD12 ' OE1' ' A' ' 34' ' ' GLN . 2.5 mt -93.24 148.12 22.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.5 HD12 ' OD2' ' A' ' 68' ' ' ASP . 51.8 mt -69.61 98.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLN . 27.0 t -58.09 -55.63 32.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 87.0 t80 -143.58 154.79 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.1 mt -119.84 107.71 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.423 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -50.37 151.95 2.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 110.263 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.03 164.43 14.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 t70 53.59 20.92 2.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 p -104.4 166.08 12.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.489 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.03 -23.17 14.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -70.98 -25.04 62.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -96.76 -35.28 11.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.402 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 8.8 mtt-85 -51.33 -44.19 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.6 m -61.07 -41.7 97.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.23 22.78 72.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 m -103.75 -18.28 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.954 HD11 HG11 ' A' ' 19' ' ' VAL . 6.9 mt -92.53 124.66 36.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -107.22 149.02 28.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.1 mm -60.57 117.6 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.39 32.23 7.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.5 ' OD2' HD12 ' A' ' 49' ' ' ILE . 87.4 m-20 -63.66 -177.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -128.32 80.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 47' ' ' PRO . 8.9 p -67.69 115.37 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 39.0 mmm -89.4 -19.43 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -164.99 164.18 20.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.638 ' HB ' HD12 ' A' ' 89' ' ' LEU . 23.5 mt -137.05 106.1 4.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 74.45 5.57 4.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.23 -19.94 11.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.648 ' N ' HD12 ' A' ' 76' ' ' ILE . 1.8 mp -68.75 132.67 90.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 111.04 3.23 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 p -88.58 83.84 6.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 110.416 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -159.74 26.44 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 172.7 94.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 172.83 -173.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 110.008 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 p -100.49 148.8 24.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 2.1 t80 -52.49 -20.33 2.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.47 -34.36 60.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -49.66 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -47.74 -54.57 11.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -50.23 -31.51 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.38 -36.09 60.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.638 HD12 ' HB ' ' A' ' 73' ' ' ILE . 10.3 mt -55.08 -50.1 70.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.508 HD22 HG21 ' A' ' 99' ' ' VAL . 14.1 mt -55.48 -56.91 14.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.17 -29.92 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -84.34 -38.14 20.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' LEU . 70.8 m -56.44 -27.83 57.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.0 t -54.76 -19.38 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.961 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 96' ' ' THR . 21.2 mt -59.62 -71.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.447 ' N ' HG22 ' A' ' 95' ' ' ILE . 9.4 t -62.03 -13.73 28.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.45 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 22' ' ' THR . 0.1 OUTLIER 78.53 25.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.028 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.8 ptmt -163.77 155.16 16.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.799 HG12 ' CD1' ' A' ' 29' ' ' PHE . 7.9 p -131.35 138.55 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.699 HG23 ' HG3' ' A' ' 18' ' ' GLU . 11.2 m -106.96 101.74 11.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.634 ' CD2' HG22 ' A' ' 99' ' ' VAL . 2.1 mm? -89.97 117.03 28.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -87.32 106.8 18.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 16' ' ' THR . 9.7 mm -106.68 163.27 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.484 ' HB2' HG22 ' A' ' 16' ' ' THR . 5.4 tt0 -145.19 122.93 11.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 3.6 p90 -121.02 175.87 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -101.63 152.0 21.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.8 t -117.62 144.72 24.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.11 114.16 20.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.62 166.37 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.0 m -90.2 107.21 18.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.986 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.0 p -145.78 153.23 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 14.3 pt -60.56 150.45 74.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 112' ' ' ILE . 18.3 Cg_endo -74.99 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 t 74.02 116.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.49 141.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.2 92.15 0.74 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 118' ' ' GLY . 10.8 p -177.97 117.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 117' ' ' SER . . . -37.56 98.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.82 20.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.9 t -62.89 101.03 0.23 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.973 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.4 p -86.53 153.18 22.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -69.29 145.07 53.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -128.63 93.98 3.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.037 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.48 -62.08 3.13 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.3 91.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.995 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -110.44 91.55 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.055 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.11 -83.35 0.35 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.09 171.87 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.01 -118.53 0.96 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.735 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.0 OUTLIER 178.98 -152.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 110.315 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.735 HG12 ' O ' ' A' ' 10' ' ' GLN . 7.1 p 50.72 174.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.619 ' H ' HG22 ' A' ' 11' ' ' VAL . 9.1 p -116.77 162.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -103.55 165.89 10.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.589 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -131.79 143.32 50.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.406 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 15.8 mt-10 -116.44 155.05 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.9 OUTLIER -113.87 145.83 40.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.402 HG22 ' HB ' ' A' ' 103' ' ' ILE . 4.3 t -120.32 156.03 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -115.66 113.11 23.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.632 HG21 HD21 ' A' ' 64' ' ' LEU . 6.6 t -100.45 114.45 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.486 HG13 ' CG ' ' A' ' 98' ' ' LYS . 25.1 t -104.75 101.62 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.742 HD11 ' CD1' ' A' ' 64' ' ' LEU . 25.2 mt -100.99 142.52 32.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 m -104.92 109.81 21.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.78 100.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.435 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -57.56 163.84 3.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 3.45 5.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.618 HG23 ' H ' ' A' ' 27' ' ' THR . 4.9 m -143.13 -60.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.618 ' H ' HG23 ' A' ' 26' ' ' VAL . 5.2 p -103.83 69.5 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.66 -88.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -115.13 -27.6 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.94 56.12 10.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.694 HD11 ' CD1' ' A' ' 21' ' ' LEU . 12.2 mt -122.97 146.06 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' SER . 2.1 mt-30 -128.29 139.93 52.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.532 HD22 ' HB2' ' A' ' 47' ' ' PRO . 76.2 mt -110.27 158.33 18.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -106.07 168.83 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.81 -161.41 9.97 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -153.03 159.84 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.4 t -85.64 -54.21 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -91.14 132.08 36.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 42' ' ' THR . . . -170.2 -168.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -115.49 -88.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.388 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -84.26 -46.23 12.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.578 HG23 ' N ' ' A' ' 43' ' ' LEU . 6.7 t -129.05 -132.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.44 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.578 ' N ' HG23 ' A' ' 42' ' ' THR . 4.2 mt -90.33 23.74 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER 38.58 32.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.975 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER 173.16 163.78 0.28 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.37 35.25 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.532 ' HB2' HD22 ' A' ' 33' ' ' LEU . 18.3 Cg_endo -75.05 148.3 34.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 3.5 mt -132.33 127.31 35.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.454 HG21 HD11 ' A' ' 52' ' ' ILE . 24.8 mt -41.97 104.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLN . 11.8 t -65.05 -54.62 27.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.517 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 79.2 t80 -142.27 160.43 40.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.494 HD13 ' O ' ' A' ' 64' ' ' LEU . 44.4 mt -131.29 112.32 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.29 154.43 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.03 162.89 15.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 49.67 30.83 3.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.74 168.3 7.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.495 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.2 Cg_endo -75.06 -18.85 18.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.82 -27.92 44.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -96.65 -11.31 25.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.406 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 5.4 mtt85 -77.31 -40.36 44.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.9 p -59.66 -41.6 90.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 108.301 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.92 -2.61 63.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -87.29 -30.17 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.742 ' CD1' HD11 ' A' ' 21' ' ' LEU . 66.0 mt -80.1 97.76 6.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -93.81 149.18 21.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.517 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.7 mm -57.53 113.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.67 29.62 7.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.579 ' HB3' HD12 ' A' ' 103' ' ' ILE . 8.8 m-20 -54.06 -173.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.589 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -126.67 60.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.691 ' O ' HG13 ' A' ' 70' ' ' VAL . 8.4 p -60.11 89.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' GLU . 50.0 mmm -68.37 -30.39 69.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.885 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -153.36 160.79 42.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.524 HG13 HG21 ' A' ' 78' ' ' THR . 84.5 mt -131.66 103.3 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.72 4.56 4.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.62 -14.22 20.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.606 HG23 ' HD2' ' A' ' 77' ' ' PRO . 3.4 mt -71.03 140.53 85.89 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.552 0.796 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.3 Cg_endo -75.01 103.23 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.885 HG23 ' HA ' ' A' ' 72' ' ' ALA . 68.4 p -71.95 71.49 0.8 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.422 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' HG2' HG21 ' A' ' 42' ' ' THR . 4.6 tt0 178.79 47.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 t0 177.34 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.753 ' C ' HG23 ' A' ' 82' ' ' THR . 51.1 m -72.2 -8.15 53.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.753 HG23 ' C ' ' A' ' 81' ' ' SER . 0.8 OUTLIER 67.03 143.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.416 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -44.4 -32.84 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.49 -39.97 61.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.483 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 0.2 OUTLIER -76.79 -54.89 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.498 ' HB1' ' CD1' ' A' ' 33' ' ' LEU . . . -40.75 -48.62 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.34 -51.85 67.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -44.73 80.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.3 mt -40.54 -36.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.765 ' CD2' HG21 ' A' ' 99' ' ' VAL . 16.3 mt -71.06 -61.26 1.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -42.58 -27.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.442 ' O ' HD12 ' A' ' 95' ' ' ILE . 14.3 t70 -84.6 -47.58 10.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -44.4 -29.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.33 -41.75 39.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.093 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 92' ' ' ASP . 3.3 mt -44.53 -73.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.454 HG23 ' H ' ' A' ' 98' ' ' LYS . 11.2 t -64.43 -11.07 29.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.428 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 m 65.05 25.87 12.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.486 ' CG ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -148.24 146.79 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.765 HG21 ' CD2' ' A' ' 90' ' ' LEU . 14.9 p -140.31 136.02 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.9 m -108.49 104.15 13.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.9 mt -95.22 111.18 23.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' MET . 3.3 tt0 -86.53 112.96 22.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.579 HD12 ' HB3' ' A' ' 68' ' ' ASP . 1.3 mm -110.99 167.67 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.467 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.3 tt0 -142.31 123.66 14.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.503 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.6 p90 -121.57 179.86 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -104.6 152.73 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.411 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 21.5 t -131.24 141.65 45.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.68 153.06 44.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -101.77 160.26 14.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.56 111.53 23.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.06 123.43 53.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.5 pt -52.68 138.22 42.37 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 168.88 23.83 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.819 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.94 144.6 48.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.5 t -101.96 135.73 43.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 168.24 138.1 2.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.563 1.164 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.35 159.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 0.738 . . . . 0.0 109.999 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -153.87 100.54 0.2 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.99 21.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.566 1.824 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.3 p -151.52 134.03 15.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.02 86.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.979 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -162.59 163.14 27.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.33 147.59 44.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.029 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.37 141.51 4.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.86 113.74 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.0 p -142.34 132.49 24.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.2 168.3 3.25 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.47 115.1 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.42 -135.67 6.54 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.723 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -65.4 -160.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.723 HG12 ' O ' ' A' ' 10' ' ' GLN . 7.6 p 50.83 173.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.681 HG23 ' CG ' ' A' ' 109' ' ' GLU . 9.3 p -96.07 163.05 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.542 ' CE1' ' HB ' ' A' ' 107' ' ' VAL . 44.9 p-80 -102.72 165.65 10.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.69 139.6 49.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 14.5 mt-10 -110.38 156.55 20.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -116.85 145.35 43.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.475 HG22 ' HB ' ' A' ' 103' ' ' ILE . 5.0 t -119.01 153.8 34.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.608 ' HG3' HG23 ' A' ' 100' ' ' THR . 15.6 tt0 -115.34 113.26 23.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.628 HG21 HD21 ' A' ' 64' ' ' LEU . 8.5 t -101.56 127.0 55.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.7 t -113.89 108.68 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.765 HD11 ' CD1' ' A' ' 64' ' ' LEU . 16.3 mt -108.32 142.93 37.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' ASP . 7.5 m -105.01 108.83 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -43.03 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.467 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -50.81 170.1 0.2 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -75.0 -13.31 21.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.542 HG12 HG23 ' A' ' 27' ' ' THR . 14.4 t -130.72 -61.49 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.555 ' O ' ' C ' ' A' ' 28' ' ' GLY . 19.9 p -97.05 69.5 2.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.18 -85.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.493 1.121 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.433 ' CE2' ' HB2' ' A' ' 93' ' ' SER . 14.1 m-85 -116.09 -27.43 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.11 62.71 4.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.634 HD11 ' HB2' ' A' ' 58' ' ' ALA . 5.5 mt -131.63 145.35 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' SER . 2.7 mm100 -125.44 145.16 50.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mt -117.48 163.23 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.22 131.94 53.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.19 -136.67 2.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t -135.61 147.71 48.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 109.963 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.25 -21.79 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.47 23.72 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.3 -174.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.1 m -93.2 -73.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -111.48 -59.09 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.8 p -119.32 -133.98 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' SER . 19.9 tp -125.76 6.8 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 38.71 30.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' LEU . 51.8 p -179.43 153.3 0.69 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.985 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.04 147.11 33.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.9 150.72 39.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.052 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.495 HD22 ' O ' ' A' ' 68' ' ' ASP . 12.2 mt -136.37 135.45 38.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.881 HD12 ' OD2' ' A' ' 68' ' ' ASP . 22.8 mt -54.7 98.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 32' ' ' GLN . 18.2 t -58.31 -57.68 11.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.517 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 85.1 t80 -137.66 159.92 40.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.43 HG22 ' HB2' ' A' ' 59' ' ' GLU . 60.3 mt -128.62 109.25 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.07 149.33 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.79 159.55 19.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 t0 56.7 18.83 3.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.15 166.31 13.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.486 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.03 -22.73 14.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.771 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.634 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -73.32 -27.86 61.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.43 ' HB2' HG22 ' A' ' 52' ' ' ILE . 5.3 tp10 -96.33 -12.03 25.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -64.02 -60.94 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.405 ' HB2' HG22 ' A' ' 63' ' ' VAL . 37.2 m -60.18 -43.47 95.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.258 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.47 -22.23 17.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.405 HG22 ' HB2' ' A' ' 61' ' ' CYS . 30.4 m -48.76 -29.21 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.765 ' CD1' HD11 ' A' ' 21' ' ' LEU . 39.4 mt -86.81 99.95 12.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.461 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 4.8 mt-30 -94.26 145.57 24.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.517 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.4 mm -50.75 114.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.95 30.03 8.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.881 ' OD2' HD12 ' A' ' 49' ' ' ILE . 74.2 m-20 -53.02 -177.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.514 ' H ' HG23 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -118.22 54.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.861 ' HA ' HD13 ' A' ' 103' ' ' ILE . 2.7 p -55.41 91.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 102' ' ' GLU . 49.4 mmm -73.73 -33.35 64.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.935 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -147.59 178.07 8.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 97.2 mt -142.06 97.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 72.07 9.3 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.84 -12.58 20.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.668 HG21 HD11 ' A' ' 89' ' ' LEU . 7.9 mm -72.05 132.42 84.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.2 Cg_endo -74.98 100.05 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.935 HG23 ' HA ' ' A' ' 72' ' ' ALA . 60.8 p -65.97 73.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.9 OUTLIER -171.36 -44.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.68 -47.06 87.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.3 m -79.28 -156.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.9 p -119.24 160.7 21.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -47.96 -27.48 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -69.53 -50.23 46.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.474 ' OE2' HD21 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -43.65 -60.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.41 -50.49 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -56.92 -49.77 74.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -43.05 81.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.668 HD11 HG21 ' A' ' 76' ' ' ILE . 10.3 mt -45.85 -52.25 11.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.78 ' CD2' HG21 ' A' ' 99' ' ' VAL . 14.7 mt -59.02 -59.13 5.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.99 -40.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -77.13 -43.59 33.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' LEU . 6.7 m -44.8 -36.81 3.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t -48.16 -27.01 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 96' ' ' THR . 17.6 mt -53.12 -73.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.479 HG23 ' H ' ' A' ' 98' ' ' LYS . 9.6 t -65.18 -12.41 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 0.3 OUTLIER 68.77 24.48 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.015 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.479 ' H ' HG23 ' A' ' 96' ' ' THR . 3.9 tttt -148.74 144.87 27.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.78 HG21 ' CD2' ' A' ' 90' ' ' LEU . 7.9 p -141.7 143.06 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.608 HG23 ' HG3' ' A' ' 18' ' ' GLU . 10.7 m -114.56 98.14 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.651 HD22 HG22 ' A' ' 99' ' ' VAL . 3.8 mm? -86.81 119.29 26.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' MET . 11.6 tt0 -95.41 119.0 33.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.861 HD13 ' HA ' ' A' ' 70' ' ' VAL . 5.6 mm -115.12 167.35 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.446 ' N ' HG22 ' A' ' 103' ' ' ILE . 3.7 tt0 -141.7 124.52 16.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 1.2 p90 -121.14 -179.55 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -106.89 151.0 25.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.542 ' HB ' ' CE1' ' A' ' 13' ' ' HIS . 2.5 t -116.46 142.6 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.49 149.84 48.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.241 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.681 ' CG ' HG23 ' A' ' 12' ' ' VAL . 7.9 mt-10 -104.82 157.29 17.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.7 m -93.64 104.73 16.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.04 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.1 p -146.38 141.56 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.89 106.34 0.62 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 143.52 29.31 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.1 p -89.23 171.92 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.89 165.54 13.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 176.17 -89.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.5 166.17 24.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 157.94 79.4 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 164.73 32.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.548 1.815 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.8 p -143.93 119.75 10.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.3 p 41.36 90.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.539 1.15 . . . . 0.0 110.961 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.4 p -42.78 131.89 3.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 0.803 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.68 -63.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.4 106.92 0.6 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.45 139.76 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 t -90.46 81.16 5.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.51 -86.59 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.24 89.79 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.92 -135.6 5.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.33 20.14 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.5 t -133.21 154.23 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.404 HG21 ' O ' ' A' ' 107' ' ' VAL . 8.5 p -91.14 163.17 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.407 ' NE2' ' HB ' ' A' ' 107' ' ' VAL . 56.3 p-80 -95.49 164.13 12.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.622 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -129.43 146.92 51.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.536 ' HG3' HG21 ' A' ' 107' ' ' VAL . 4.8 mt-10 -120.43 148.89 43.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.5 OUTLIER -106.96 148.84 28.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 t -136.42 141.0 43.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.831 ' HG3' HG23 ' A' ' 100' ' ' THR . 3.9 tt0 -105.77 124.06 48.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 101' ' ' LEU . 9.2 p -99.72 134.63 38.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.467 ' CG1' ' HE2' ' A' ' 98' ' ' LYS . 53.6 t -115.34 99.24 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 mt -101.99 139.55 37.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.7 m -102.17 109.05 20.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.373 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.07 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.449 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -50.48 167.77 0.25 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.0 -10.78 21.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.538 HG12 HG23 ' A' ' 27' ' ' THR . 20.8 t -131.37 -60.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.564 ' O ' ' C ' ' A' ' 28' ' ' GLY . 9.2 p -100.68 70.27 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -21.43 -85.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.498 ' CD2' HD22 ' A' ' 90' ' ' LEU . 14.9 m-85 -113.61 -38.63 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.447 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 66.57 59.99 6.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 mt -129.43 141.58 46.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -121.19 132.19 54.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.819 HD12 ' HB2' ' A' ' 47' ' ' PRO . 1.2 mm? -99.68 157.93 16.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.457 ' HG2' ' CB ' ' A' ' 48' ' ' LEU . 2.3 pp0? -110.86 158.55 18.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.98 -104.61 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.4 m -111.04 149.56 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 109.955 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.8 t -63.6 -60.12 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -134.71 32.62 3.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 57.81 96.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.2 m -106.52 -42.15 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 174.08 -53.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.8 p -138.23 -134.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' SER . 17.7 tp -117.88 39.06 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.4 m -67.52 67.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.451 ' CB ' ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER 174.83 175.78 0.22 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.561 1.163 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 45' ' ' SER . 18.3 Cg_endo -75.01 144.05 29.77 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.527 1.804 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.819 ' HB2' HD12 ' A' ' 33' ' ' LEU . 18.4 Cg_endo -75.0 72.92 4.49 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.465 1.771 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CB ' ' HG2' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -39.22 136.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.697 ' O ' HG22 ' A' ' 49' ' ' ILE . 10.6 mt -69.27 83.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' GLN . 30.7 t -39.78 -61.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.601 ' HA ' HD12 ' A' ' 66' ' ' ILE . 90.0 t80 -144.4 158.11 43.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.468 HG13 ' CG2' ' A' ' 49' ' ' ILE . 17.6 mt -121.11 109.66 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.447 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -50.04 153.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.262 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -89.51 169.3 11.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 47.3 25.02 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -107.27 164.09 15.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HA ' ' HB2' ' A' ' 60' ' ' ARG . 18.1 Cg_endo -75.06 -21.22 15.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.528 1.804 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.8 -25.21 62.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 62' ' ' GLY . 2.1 tp10 -96.42 -39.69 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 19.3 mtt180 -42.22 -53.05 4.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.1 m -66.75 -34.7 78.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 59.82 22.26 56.95 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.44 HG23 ' HG ' ' A' ' 64' ' ' LEU . 33.6 m -87.65 -10.31 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.481 0.754 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.44 ' HG ' HG23 ' A' ' 63' ' ' VAL . 1.2 mt -107.88 124.09 49.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -102.29 155.04 18.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 51' ' ' TYR . 21.2 mm -66.43 105.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 68' ' ' ASP . . . 110.07 22.13 6.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.495 ' CG ' HD12 ' A' ' 49' ' ' ILE . 34.5 p-10 -51.43 -177.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.439 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -138.8 66.49 1.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.53 HG13 ' HD2' ' A' ' 47' ' ' PRO . 8.4 p -64.45 115.68 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 102' ' ' GLU . 69.9 mmm -75.79 -24.7 55.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.574 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -160.05 158.67 30.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.788 HG13 HG21 ' A' ' 78' ' ' THR . 54.2 mt -126.72 111.84 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 100' ' ' THR . 1.0 OUTLIER 61.73 18.23 9.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 106.68 -16.35 40.47 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.138 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.444 HG21 HD11 ' A' ' 89' ' ' LEU . 21.1 mm -66.11 128.97 94.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.4 Cg_endo -74.93 76.04 3.49 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.769 . . . . 0.0 111.072 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.788 HG21 HG13 ' A' ' 73' ' ' ILE . 33.6 p -59.3 85.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.398 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' PRO . 7.7 pt-20 -179.71 53.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 171.21 -40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.9 m -59.17 -164.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.977 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 p -113.88 156.77 23.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -48.56 -24.1 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -74.0 -38.15 64.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -49.13 -67.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.95 -58.79 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -50.24 -39.21 44.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -67.52 -39.46 85.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.444 HD11 HG21 ' A' ' 76' ' ' ILE . 27.4 mt -52.8 -51.55 60.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.899 ' CD2' HG21 ' A' ' 99' ' ' VAL . 15.3 mt -54.54 -64.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.66 -54.36 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.62 -56.42 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.471 ' OG ' HG23 ' A' ' 99' ' ' VAL . 59.2 m -42.45 -40.87 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 p -43.81 -29.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.9 mt -50.81 -66.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.0 t -72.67 -3.77 27.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m 64.83 24.4 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.467 ' HE2' ' CG1' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -146.68 136.24 23.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.899 HG21 ' CD2' ' A' ' 90' ' ' LEU . 8.0 p -126.97 149.83 32.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.831 HG23 ' HG3' ' A' ' 18' ' ' GLU . 1.1 m -124.71 130.21 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.615 ' HB2' HG12 ' A' ' 19' ' ' VAL . 6.3 mt -125.87 120.1 29.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.3 tt0 -89.11 105.19 17.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 104' ' ' GLU . 4.5 mm -99.79 167.21 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.502 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.9 tt0 -143.91 123.52 13.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.486 ' CD1' ' O ' ' A' ' 15' ' ' GLU . 5.2 p90 -125.64 173.86 8.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -103.11 153.22 20.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.536 HG21 ' HG3' ' A' ' 15' ' ' GLU . 20.7 t -111.43 137.01 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.2 127.32 32.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.417 1.073 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.48 167.76 11.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.2 m -68.37 101.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 p -124.39 165.24 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.711 HG23 ' HD2' ' A' ' 113' ' ' PRO . 2.7 mp -71.0 142.31 87.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.711 ' HD2' HG23 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.03 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.43 95.17 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.75 156.73 46.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 110.046 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -132.9 151.35 19.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 78.8 p -167.24 117.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 110.003 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -173.15 75.99 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 139.24 23.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.69 -63.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.8 t -173.19 140.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.976 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.03 108.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 110.029 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.88 136.82 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.013 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.71 179.34 25.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -144.51 122.13 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.027 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.8 113.94 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.49 -152.64 6.48 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.69 175.37 5.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.23 106.01 1.38 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.74 132.74 35.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.489 HG22 ' H ' ' A' ' 12' ' ' VAL . 8.7 p -164.61 169.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.489 ' H ' HG22 ' A' ' 11' ' ' VAL . 9.3 p -79.1 162.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -107.41 164.96 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.63 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -129.37 142.26 50.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' CE1' ' A' ' 105' ' ' PHE . 20.2 mt-10 -118.26 151.81 36.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -105.28 154.68 19.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.411 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 t -137.41 140.93 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.458 ' HG2' ' CG2' ' A' ' 100' ' ' THR . 0.7 OUTLIER -107.88 116.1 31.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.769 HG11 HD21 ' A' ' 64' ' ' LEU . 5.2 p -95.19 126.5 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.481 HG13 ' HG2' ' A' ' 98' ' ' LYS . 53.5 t -112.54 99.62 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.757 HD11 HD11 ' A' ' 64' ' ' LEU . 7.6 mt -104.56 139.79 38.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' ALA . 8.2 m -101.46 106.16 17.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.491 ' HA ' ' C ' ' A' ' 28' ' ' GLY . . . -36.98 113.57 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.423 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -59.16 158.49 18.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.14 8.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.4 t -118.77 -63.14 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.9 p -95.23 -85.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.512 ' O ' ' CG ' ' A' ' 57' ' ' PRO . . . 156.26 -101.4 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.742 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 32.4 m-85 -106.34 -18.97 13.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.71 71.34 0.6 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 mt -145.89 135.45 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' SER . 41.4 mm-40 -117.97 130.44 56.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 47' ' ' PRO . 23.3 mt -102.98 156.33 17.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.68 133.54 48.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.49 -164.1 10.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.5 m -108.16 175.19 5.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 0.739 . . . . 0.0 110.023 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 35.1 m -111.62 -28.38 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 39' ' ' ALA . 9.3 m-85 -96.28 -24.54 16.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 38' ' ' PHE . . . 37.4 88.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.6 m -75.48 -64.67 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.368 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.16 -48.03 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.911 HG23 ' H ' ' A' ' 44' ' ' SER . 3.5 t -141.69 -136.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.581 ' N ' ' OG1' ' A' ' 42' ' ' THR . 18.6 tp -126.32 0.46 7.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.911 ' H ' HG23 ' A' ' 42' ' ' THR . 4.7 t 36.66 33.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.968 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 43' ' ' LEU . 9.2 p 179.96 155.02 0.69 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.01 154.24 42.27 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.499 1.789 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.602 ' HB2' HD22 ' A' ' 33' ' ' LEU . 18.4 Cg_endo -74.96 96.38 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.444 1.76 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.536 HD22 ' O ' ' A' ' 68' ' ' ASP . 6.1 mt -90.33 154.69 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.5 mt -73.01 105.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' GLN . 29.5 t -66.82 -53.68 30.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.518 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 92.3 t80 -149.23 157.73 43.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.436 HD12 HG12 ' A' ' 66' ' ' ILE . 24.1 mt -120.35 110.44 28.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.97 152.59 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.88 163.84 14.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t0 54.99 19.6 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 p -102.18 164.09 16.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.95 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.512 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -75.01 -14.8 21.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -75.57 -29.79 59.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -92.56 -19.13 22.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.424 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 3.2 mtt180 -73.83 -50.42 20.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.966 ' SG ' HG22 ' A' ' 63' ' ' VAL . 31.9 p -60.76 -37.24 81.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 108.271 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.99 38.8 96.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.966 HG22 ' SG ' ' A' ' 61' ' ' CYS . 34.8 m -108.93 -22.31 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.769 HD21 HG11 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -95.64 137.36 34.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -114.35 152.24 31.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 5.3 mm -66.6 113.83 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.55 28.22 20.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.536 ' O ' HD22 ' A' ' 48' ' ' LEU . 3.1 t0 -59.7 -160.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -142.36 94.51 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 47' ' ' PRO . 9.9 p -83.67 118.46 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.419 ' N ' ' O ' ' A' ' 102' ' ' GLU . 55.0 mmm -86.81 -18.7 30.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.701 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -166.47 168.75 14.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.463 HG13 ' CG2' ' A' ' 78' ' ' THR . 54.2 mt -139.07 99.48 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 100' ' ' THR . 0.5 OUTLIER 72.64 15.13 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.88 -13.08 45.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.685 HG23 ' HD2' ' A' ' 77' ' ' PRO . 5.2 mt -71.9 141.73 84.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.685 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.04 117.34 4.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.701 HG23 ' HA ' ' A' ' 72' ' ' ALA . 5.4 p -81.67 70.84 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.445 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -176.17 -41.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -62.9 -51.62 66.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.4 m -77.93 -162.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.7 p -125.65 170.47 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -53.88 -27.69 31.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -68.08 -34.67 76.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -58.33 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.93 -53.64 4.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -52.45 -46.73 66.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.24 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -40.06 86.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.9 mt -50.49 -41.34 53.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.569 HD22 HG21 ' A' ' 99' ' ' VAL . 11.3 mt -63.46 -52.65 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -36.42 76.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -78.26 -21.22 50.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.3 m -85.89 -12.92 49.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 m -76.66 -21.18 55.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.8 mt -55.49 -63.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 t -69.96 -6.74 35.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.53 28.79 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.481 ' HG2' HG13 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -147.52 147.26 29.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.569 HG21 HD22 ' A' ' 90' ' ' LEU . 14.7 p -140.93 140.15 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.458 ' CG2' ' HG2' ' A' ' 18' ' ' GLU . 24.4 m -121.36 112.51 18.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.399 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.683 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -111.4 130.13 55.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -98.0 107.99 20.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 16' ' ' THR . 5.6 mm -104.46 160.78 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.414 ' N ' HG22 ' A' ' 103' ' ' ILE . 18.2 tt0 -131.61 134.99 46.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.541 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.5 p90 -132.06 -179.88 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -104.41 146.9 28.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 21.4 t -109.86 144.65 17.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.69 125.79 32.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -97.0 161.78 13.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.5 m -61.03 102.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 112' ' ' ILE . 4.4 t -128.74 151.43 35.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.413 ' O ' HG12 ' A' ' 111' ' ' VAL . 1.4 pp -62.0 154.52 68.37 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.52 42.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.77 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.0 p -144.74 71.82 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.957 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 67.6 p -58.5 165.37 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.26 152.69 5.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.19 158.9 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.989 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -106.62 156.48 16.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 61.8 p -39.41 134.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 94.6 p -113.18 130.89 56.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.972 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.09 -58.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.784 . . . . 0.0 110.045 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p 46.06 84.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.989 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.07 93.99 0.1 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.3 p -136.33 124.87 23.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 0.76 . . . . 0.0 109.968 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -98.99 106.9 19.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.35 -136.17 1.99 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.414 1.071 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.05 176.76 5.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.95 98.41 0.42 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -90.52 134.73 34.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 0.794 . . . . 0.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.508 HG22 ' H ' ' A' ' 12' ' ' VAL . 9.8 p -165.6 170.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.689 HG23 ' HG3' ' A' ' 109' ' ' GLU . 0.3 OUTLIER -111.94 163.46 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -114.36 165.03 13.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.605 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.61 139.11 53.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.0 165.48 13.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -113.97 147.14 39.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.433 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.449 ' HB ' ' CE1' ' A' ' 105' ' ' PHE . 7.9 t -128.07 150.06 50.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.459 ' CG ' HG23 ' A' ' 100' ' ' THR . 0.4 OUTLIER -113.36 122.26 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 101' ' ' LEU . 8.4 p -97.49 149.02 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 20' ' ' VAL . 7.0 p -126.07 100.49 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.827 ' CD1' HD11 ' A' ' 31' ' ' ILE . 26.7 mt -103.68 133.11 49.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.2 m -100.02 109.82 22.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.11 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.458 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -54.16 170.96 0.29 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.407 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.03 -14.29 21.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.516 HG12 HG23 ' A' ' 27' ' ' THR . 14.7 t -129.72 -59.59 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.567 ' O ' ' C ' ' A' ' 28' ' ' GLY . 22.8 p -98.02 68.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.04 -87.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 28.4 m-85 -114.84 -26.98 7.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.759 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.69 59.8 7.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.827 HD11 ' CD1' ' A' ' 21' ' ' LEU . 13.6 mt -129.41 145.95 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 0.794 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' SER . 0.4 OUTLIER -131.38 140.17 49.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.705 HD22 ' N ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -103.45 162.45 13.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.695 ' NE2' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -112.76 144.48 42.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.57 -144.79 4.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.132 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.53 168.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 0.744 . . . . 0.0 110.008 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.8 m -95.46 -37.56 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -88.6 144.6 26.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -175.72 -161.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.7 m -131.27 -81.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.452 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.491 ' HG2' HG23 ' A' ' 42' ' ' THR . 0.4 OUTLIER -111.6 -28.47 8.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.491 HG23 ' HG2' ' A' ' 41' ' ' GLU . 69.9 p -129.52 -133.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.451 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' O ' HD12 ' A' ' 43' ' ' LEU . 13.3 tp -106.66 7.9 30.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.442 ' O ' ' CB ' ' A' ' 45' ' ' SER . 1.0 OUTLIER 38.63 38.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 162.89 148.43 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.998 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.4 Cg_endo -75.01 154.92 42.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.586 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.01 97.64 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.695 HD12 ' NE2' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -81.76 138.72 35.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.6 mt -50.15 93.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLN . 16.4 t -51.65 -51.9 52.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.574 ' HA ' HD12 ' A' ' 66' ' ' ILE . 77.0 t80 -152.68 167.69 28.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.4 mt -134.46 106.84 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.16 152.47 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.24 165.33 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t0 51.93 22.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.01 164.93 13.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.411 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.04 -21.22 15.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.435 ' CB ' HG12 ' A' ' 31' ' ' ILE . . . -69.5 -31.84 70.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -91.5 -22.85 20.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.4 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 4.9 mtp180 -56.71 -51.26 69.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.532 ' HB2' HG22 ' A' ' 63' ' ' VAL . 7.8 p -60.11 -43.16 95.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 108.316 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' VAL . . . 86.04 -42.94 3.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' A' ' 61' ' ' CYS . 17.7 m -40.26 -37.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.501 ' CD1' HD11 ' A' ' 21' ' ' LEU . 41.1 mt -71.47 109.82 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -101.71 159.12 15.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' A' ' 51' ' ' TYR . 10.4 mm -69.14 124.17 24.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.8 45.36 21.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.536 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -76.49 -169.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.75 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -122.89 89.07 3.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 47' ' ' PRO . 7.0 p -82.02 111.97 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -79.38 -29.22 42.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.18 167.01 24.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.832 ' HB ' HD12 ' A' ' 89' ' ' LEU . 13.4 mt -134.06 99.91 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' ND2' ' H ' ' A' ' 100' ' ' THR . 0.5 OUTLIER 73.38 23.0 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.43 -13.05 64.72 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.731 HG21 HD11 ' A' ' 89' ' ' LEU . 9.7 mm -73.67 134.78 78.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.3 Cg_endo -75.01 114.73 4.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.438 1.757 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.714 HG21 HG13 ' A' ' 73' ' ' ILE . 2.6 p -96.89 84.14 3.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.09 64.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 t0 173.52 -62.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -174.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.069 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.511 ' O ' ' CG ' ' A' ' 85' ' ' GLU . 4.1 p -80.46 144.01 32.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -49.81 -23.93 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -19.15 61.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 82' ' ' THR . 2.1 pp20? -61.86 -37.13 83.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.74 -51.77 17.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -50.99 -22.23 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -41.3 18.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.832 HD12 ' HB ' ' A' ' 73' ' ' ILE . 10.7 mt -52.69 -20.8 3.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.749 HD23 HG21 ' A' ' 99' ' ' VAL . 15.9 mt -83.04 -60.14 2.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -56.16 -18.42 10.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.738 ' O ' HD12 ' A' ' 95' ' ' ILE . 21.7 t0 -86.79 -37.04 18.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.531 ' OG ' HG23 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -62.07 -41.02 97.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -39.41 -31.02 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.983 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 92' ' ' ASP . 7.9 mt -52.53 -70.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.509 HG23 ' H ' ' A' ' 98' ' ' LYS . 8.4 t -69.13 -9.0 50.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.352 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.75 16.49 4.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.509 ' H ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -140.11 150.48 44.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.749 HG21 HD23 ' A' ' 90' ' ' LEU . 8.0 p -141.24 138.82 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.459 HG23 ' CG ' ' A' ' 18' ' ' GLU . 1.1 m -112.98 129.33 56.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.431 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.59 ' HB2' HG12 ' A' ' 19' ' ' VAL . 1.5 mt -127.65 129.55 47.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.93 109.08 21.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 104' ' ' GLU . 14.8 mm -104.42 162.47 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.3 tt0 -124.75 136.23 53.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.52 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.1 p90 -139.34 178.18 7.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -94.99 150.28 20.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 45.3 t -117.55 146.05 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.19 137.67 51.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.689 ' HG3' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -115.22 166.78 11.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 70.5 m -85.6 100.69 12.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.5 p -160.86 134.32 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 4.4 tt -54.64 135.15 63.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.98 -50.24 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.21 166.01 32.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.43 92.92 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.033 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 60.56 110.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.1 t -167.29 -58.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 0.755 . . . . 0.0 109.972 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 122.21 161.35 11.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 115.95 4.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.463 1.77 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.4 t -144.06 91.79 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.31 133.63 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 p -131.94 -58.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.9 p -116.38 167.67 10.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.52 -92.88 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 t -160.17 -59.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 58.04 94.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.95 -105.87 3.03 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.49 168.98 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.53 133.24 8.02 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.569 1.168 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -94.47 24.99 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 110.313 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 10' ' ' GLN . 3.5 t -38.6 146.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.245 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 107' ' ' VAL . 9.8 p -118.91 163.29 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -109.11 166.62 10.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.595 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.725 HG22 ' HA ' ' A' ' 106' ' ' ASP . 0.8 OUTLIER -132.87 138.98 47.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.383 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.76 -173.98 2.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.482 HG22 ' HB2' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -137.41 149.23 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 t -122.23 157.57 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.55 ' HG3' HG23 ' A' ' 100' ' ' THR . 25.8 tt0 -110.1 116.49 31.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.0 t -102.76 136.42 35.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.2 t -123.02 113.77 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.0 HD11 HD11 ' A' ' 64' ' ' LEU . 15.6 mt -114.98 134.73 54.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 m -98.46 108.66 21.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.592 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.44 99.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.47 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -51.53 170.98 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.01 -14.03 21.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.529 HG12 HG23 ' A' ' 27' ' ' THR . 10.9 t -131.26 -61.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.554 ' O ' ' C ' ' A' ' 28' ' ' GLY . 20.4 p -95.59 68.49 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.9 -90.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 23.5 m-85 -115.17 -21.13 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.786 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 40.2 69.38 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.453 HD11 ' CD1' ' A' ' 21' ' ' LEU . 4.0 mt -130.79 145.73 35.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 0.741 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.1 mm100 -128.48 145.45 51.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.471 HD22 ' HB2' ' A' ' 47' ' ' PRO . 5.3 mt -117.0 164.86 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.7 162.51 17.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.07 -157.11 8.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.28 155.2 41.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 0.766 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 38' ' ' PHE . 7.4 p -50.39 -56.63 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.521 ' N ' HG13 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -145.4 174.0 11.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -176.36 -163.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.5 m -60.62 -75.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.429 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.91 -72.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.537 ' OG1' ' N ' ' A' ' 43' ' ' LEU . 2.9 t -107.68 -125.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.537 ' N ' ' OG1' ' A' ' 42' ' ' THR . 8.7 mt -84.42 10.96 9.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER 37.29 33.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER 172.02 166.83 0.24 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.982 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -75.02 144.11 29.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.732 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.2 Cg_endo -74.97 96.48 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 68' ' ' ASP . 3.2 mt -76.01 123.6 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.593 HD12 ' HB2' ' A' ' 68' ' ' ASP . 22.2 mt -41.06 106.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 32' ' ' GLN . 3.1 t -64.62 -53.69 43.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.508 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 84.4 t80 -142.61 160.92 39.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.469 HG22 ' HB2' ' A' ' 59' ' ' GLU . 32.6 mt -130.8 111.34 20.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.21 149.16 3.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.13 161.24 19.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t70 53.75 21.17 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.0 165.55 13.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.495 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -74.98 -24.66 12.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.65 -28.12 65.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.469 ' HB2' HG22 ' A' ' 52' ' ' ILE . 1.2 tp10 -96.75 -34.37 11.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.421 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 2.9 mtp180 -43.27 -59.16 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 58.2 m -60.67 -43.4 97.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 108.281 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.85 -15.33 43.4 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.506 HG23 ' HG ' ' A' ' 64' ' ' LEU . 27.5 m -51.11 -42.22 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.563 0.802 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.0 HD11 HD11 ' A' ' 21' ' ' LEU . 15.7 mt -76.76 105.07 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.65 145.49 24.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 5.3 mm -52.65 108.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 98.73 30.04 7.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.623 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -56.18 -177.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.603 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -120.02 69.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 47' ' ' PRO . 6.8 p -65.91 96.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -70.68 -32.54 69.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.648 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -149.26 -169.82 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.543 HG13 HG21 ' A' ' 78' ' ' THR . 20.1 mt -155.84 98.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.88 11.88 4.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.93 -3.3 31.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.501 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 8.7 mm -83.79 131.84 50.63 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 106.49 2.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.793 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.543 HG21 HG13 ' A' ' 73' ' ' ILE . 2.2 p -82.33 60.81 5.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.403 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -153.65 40.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -169.43 -45.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -173.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.7 p -106.9 162.35 13.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.426 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 1.8 t80 -54.96 -21.48 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -76.35 -39.6 53.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.438 ' OE1' HD21 ' A' ' 89' ' ' LEU . 0.9 OUTLIER -56.76 -66.35 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.83 -41.51 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.87 -54.41 39.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.55 -42.61 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.47 HD12 ' HB ' ' A' ' 73' ' ' ILE . 10.0 mt -47.22 -41.96 19.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 90' ' ' LEU . 14.7 mt -67.31 -45.45 76.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -29.12 67.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -79.76 -56.58 4.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.6 m -42.7 -33.28 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 m -49.07 -35.41 15.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.8 mp -53.13 -65.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.3 t -69.42 -9.14 52.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.349 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.72 31.39 16.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -154.81 145.64 22.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.1 p -142.15 147.19 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.55 HG23 ' HG3' ' A' ' 18' ' ' GLU . 17.0 m -117.02 97.66 6.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.0 mt -91.35 120.12 31.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.85 115.35 27.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.49 HG23 ' H ' ' A' ' 69' ' ' ARG . 4.8 mm -109.07 167.57 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.482 ' HB2' HG22 ' A' ' 16' ' ' THR . 4.9 tt0 -141.18 126.9 19.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.249 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.552 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.1 p90 -124.96 -179.82 4.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.725 ' HA ' HG22 ' A' ' 14' ' ' THR . 1.2 p-10 -91.81 152.13 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.489 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 3.2 t -128.25 151.64 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.35 143.66 34.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.12 168.28 9.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.23 97.43 10.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.6 p -171.15 138.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.1 mp -82.31 127.01 72.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.44 4.59 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 58.4 m 55.2 91.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.27 165.23 17.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -129.6 -171.64 12.99 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 69.1 p -148.04 129.48 14.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.785 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -101.69 154.26 18.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 171.44 18.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.0 p -174.16 93.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 81.3 p -96.5 159.55 14.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -146.41 101.86 3.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 p -99.49 113.57 26.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.6 60.06 0.66 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.7 p -105.11 93.4 4.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 110.029 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -105.43 100.46 10.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.17 -140.24 8.23 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.34 -60.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.24 -59.5 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -72.81 129.05 37.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 0.806 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.497 HG22 ' H ' ' A' ' 12' ' ' VAL . 7.7 p -168.46 169.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.497 ' H ' HG22 ' A' ' 11' ' ' VAL . 9.6 p -88.75 163.23 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -99.42 166.19 11.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -128.06 156.89 42.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.357 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 47.8 mt-10 -129.26 149.9 50.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.7 OUTLIER -108.48 144.49 36.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 110.398 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -130.18 142.85 50.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.353 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -104.54 119.61 39.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.058 HG11 HD11 ' A' ' 64' ' ' LEU . 4.8 t -95.02 130.97 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.677 HG13 ' HG3' ' A' ' 98' ' ' LYS . 55.4 t -124.49 100.58 7.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.567 HD13 ' C ' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -102.37 121.35 42.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 23' ' ' ALA . 5.6 m -81.6 103.84 11.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 22' ' ' THR . . . -34.72 97.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.471 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -61.64 165.04 8.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.4 Cg_endo -74.95 4.7 4.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.607 HG23 ' H ' ' A' ' 27' ' ' THR . 4.5 m -144.34 -59.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.607 ' H ' HG23 ' A' ' 26' ' ' VAL . 22.1 p -105.68 70.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.594 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -19.94 -91.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 21.3 m-85 -106.66 -22.24 12.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 53.11 68.28 1.7 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 58' ' ' ALA . 8.3 mt -145.45 142.37 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.6 mt-30 -123.06 141.07 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.493 HD13 ' HB1' ' A' ' 86' ' ' ALA . 49.3 mt -105.35 167.06 9.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -138.45 170.22 16.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.81 -150.04 9.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.1 p -135.92 156.27 49.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 110.037 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.28 -55.9 20.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.578 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 3.2 p90 -130.13 171.31 12.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 38' ' ' PHE . . . 171.16 -175.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 41' ' ' GLU . 1.3 m -38.67 -78.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.381 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' N ' HG22 ' A' ' 40' ' ' THR . 2.4 tt0 -121.77 -66.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.6 p -100.23 -132.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 45' ' ' SER . 12.3 mt -87.76 11.98 14.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' LEU . 12.2 m 39.01 32.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.038 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER 175.39 164.55 0.4 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -74.99 148.09 34.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.607 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.3 Cg_endo -74.98 101.42 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -79.72 167.14 21.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.433 HD11 HD22 ' A' ' 64' ' ' LEU . 52.9 mt -80.26 103.18 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.8 t -59.22 -55.13 38.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.526 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 81.8 t80 -150.62 155.82 40.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.409 ' CG1' HG21 ' A' ' 49' ' ' ILE . 34.9 mt -123.57 108.18 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.35 158.38 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.65 162.09 13.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t0 55.97 19.53 3.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.96 167.69 10.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.954 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -25.71 11.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -70.29 -24.2 62.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -97.04 -30.9 12.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -55.22 -56.76 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.455 ' SG ' HG22 ' A' ' 63' ' ' VAL . 5.3 p -57.34 -32.5 66.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.06 41.11 76.68 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.455 HG22 ' SG ' ' A' ' 61' ' ' CYS . 33.2 m -111.46 -3.11 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.058 HD11 HG11 ' A' ' 19' ' ' VAL . 3.2 mt -108.34 156.98 18.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -133.95 149.56 51.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 7.4 mm -64.76 114.4 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.98 25.56 31.48 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 48' ' ' LEU . 4.0 t0 -57.53 -169.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.406 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -131.99 94.98 3.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 47' ' ' PRO . 7.8 p -86.16 118.21 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 49.2 mmm -84.54 -16.92 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.44 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -169.57 160.27 8.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.578 HG23 HD23 ' A' ' 101' ' ' LEU . 56.7 mt -129.36 97.88 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.79 24.59 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.42 -11.4 61.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.777 HG21 HD11 ' A' ' 89' ' ' LEU . 11.2 mm -69.8 129.95 90.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.4 Cg_endo -74.99 91.67 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.571 HG21 HG13 ' A' ' 73' ' ' ILE . 1.9 p -66.38 73.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -176.72 35.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.5 36.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.482 ' HB3' ' CB ' ' A' ' 85' ' ' GLU . 6.1 m -142.54 -164.51 1.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.967 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.7 p -121.93 152.96 39.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -37.07 -39.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.7 mt-10 -62.16 -55.03 32.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 0.5 OUTLIER -37.27 -71.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.493 ' HB1' HD13 ' A' ' 33' ' ' LEU . . . -43.3 -45.75 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -58.94 -51.36 70.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -47.41 71.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.777 HD11 HG21 ' A' ' 76' ' ' ILE . 17.6 mt -40.81 -45.68 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.813 ' CD2' HG21 ' A' ' 99' ' ' VAL . 14.9 mt -60.8 -71.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' LEU . 3.7 mtp180 -36.84 -45.52 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -57.09 14.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 95' ' ' ILE . 18.9 m -42.64 -45.44 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.961 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.7 p -39.53 -29.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.044 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' SER . 28.7 mt -52.16 -70.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.0 t -65.29 -10.1 29.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.57 25.83 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.677 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -149.93 125.04 10.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.813 HG21 ' CD2' ' A' ' 90' ' ' LEU . 14.9 p -114.46 143.47 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.2 m -120.07 121.43 38.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.578 HD23 HG23 ' A' ' 73' ' ' ILE . 24.4 mt -122.0 125.09 45.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 4.5 tt0 -92.61 109.44 20.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 104' ' ' GLU . 4.5 mm -108.86 164.67 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.477 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.9 tt0 -142.59 125.53 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 15' ' ' GLU . 4.1 p90 -126.5 177.25 6.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -106.16 157.48 17.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.63 145.46 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.81 143.51 41.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -84.99 138.24 32.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.1 m -60.64 97.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.1 t -128.44 154.69 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.433 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 1.3 mt -53.41 139.3 48.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 112' ' ' ILE . 18.3 Cg_endo -74.96 159.78 41.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.12 75.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.1 m -41.42 157.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.22 -166.82 18.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 95.0 p -46.15 120.25 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.766 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.9 -149.6 6.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 139.08 23.92 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.5 p -129.22 141.2 51.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.6 t -149.94 -58.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.006 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -75.14 140.94 43.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -105.0 108.58 20.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.28 165.25 35.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -155.44 132.84 11.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 0.754 . . . . 0.0 109.984 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -70.7 119.29 14.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.95 121.08 2.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.58 1.175 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.28 -61.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.82 82.34 1.66 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -83.98 120.81 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 m -76.43 167.77 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.548 HG21 ' O ' ' A' ' 107' ' ' VAL . 2.1 p -77.17 164.0 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.964 ' CE1' HG21 ' A' ' 107' ' ' VAL . 57.0 p-80 -126.2 167.14 15.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.603 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 105' ' ' PHE . 0.9 OUTLIER -119.96 133.78 55.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 43.7 mt-10 -118.25 142.87 47.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -100.54 137.2 39.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.407 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 t -112.66 141.61 46.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.64 126.12 41.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.0 t -113.1 123.65 68.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.459 ' CG1' ' HE2' ' A' ' 98' ' ' LYS . 61.9 t -105.51 115.25 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.561 ' CD1' HD12 ' A' ' 101' ' ' LEU . 6.7 mt -116.33 140.1 49.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.2 m -102.56 107.77 18.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.458 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -44.06 98.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.459 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -55.16 164.88 1.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.3 21.47 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.482 HG12 HG23 ' A' ' 27' ' ' THR . 54.5 t -123.8 -57.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.545 ' O ' ' C ' ' A' ' 28' ' ' GLY . 13.0 p -108.9 73.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -23.24 -86.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.508 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 23.7 m-85 -114.71 -21.06 10.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 50.63 58.77 8.68 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.475 HG12 ' CB ' ' A' ' 58' ' ' ALA . 13.5 mt -127.59 142.62 43.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.2 mm-40 -126.93 127.41 44.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.77 HD12 ' HB2' ' A' ' 47' ' ' PRO . 2.0 mm? -92.95 158.11 15.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.91 121.81 45.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.567 ' HA3' ' CD2' ' A' ' 83' ' ' PHE . . . -116.25 -155.72 10.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.91 159.03 37.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 110.009 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.9 m -80.86 -37.95 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -101.36 142.73 32.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -173.11 176.57 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.6 m -104.55 -80.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.439 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.768 ' HG3' HG23 ' A' ' 42' ' ' THR . 12.8 pt-20 -115.66 -33.43 5.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.768 HG23 ' HG3' ' A' ' 41' ' ' GLU . 71.1 p -126.34 -134.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' A' ' 45' ' ' SER . 26.6 tp -116.38 5.59 13.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER 38.65 32.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 43' ' ' LEU . 1.2 p 178.77 153.96 0.54 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 110.028 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.03 148.4 35.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.77 ' HB2' HD12 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -75.03 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 68' ' ' ASP . 2.1 mt -86.06 137.06 32.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.494 HG21 HD11 ' A' ' 52' ' ' ILE . 39.1 mt -50.67 93.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' GLN . 43.4 t -59.92 -58.47 8.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.509 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 72.6 t80 -143.57 151.53 40.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.494 HD11 HG21 ' A' ' 49' ' ' ILE . 20.8 mt -119.62 108.91 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.464 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 1.6 mp0 -50.23 156.22 0.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.54 168.49 13.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 t0 45.66 26.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 p -105.64 162.44 19.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.964 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -18.28 18.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 111.041 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.637 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -78.21 -24.01 47.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -93.08 -20.94 20.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -45.48 72.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.358 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -42.84 82.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 108.298 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.442 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 83.88 -48.69 4.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.9 m -42.42 -28.42 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 58' ' ' ALA . 21.4 mt -76.4 98.44 4.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.435 ' N ' ' OD2' ' A' ' 68' ' ' ASP . 40.8 tt0 -95.77 157.37 15.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.509 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.0 mm -69.15 124.87 25.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.9 55.36 4.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.504 ' O ' HD23 ' A' ' 48' ' ' LEU . 72.0 m-20 -96.13 -179.04 4.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.434 ' CZ ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -116.16 89.07 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 72' ' ' ALA . 10.9 p -87.1 119.79 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 102' ' ' GLU . 1.8 mmt -84.31 -27.66 27.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.951 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -145.6 160.62 41.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.748 ' HA ' HD23 ' A' ' 101' ' ' LEU . 7.2 mt -122.46 -0.08 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 2.7 p30 167.6 42.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.65 -40.32 2.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.442 HG23 ' HD2' ' A' ' 77' ' ' PRO . 9.8 mm -65.03 136.03 96.6 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.2 Cg_endo -75.0 92.0 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.791 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.951 HG23 ' HA ' ' A' ' 72' ' ' ALA . 67.4 p -51.76 94.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.431 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -174.33 34.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 81' ' ' SER . 2.3 t70 -169.28 175.18 5.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 80' ' ' ASP . 0.9 OUTLIER 78.98 -151.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.2 p -117.19 157.84 25.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.567 ' CD2' ' HA3' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -51.46 -28.67 13.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.82 -34.57 73.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -50.2 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.447 ' HB1' ' CD1' ' A' ' 73' ' ' ILE . . . -43.12 -42.03 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.76 -42.83 76.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 85' ' ' GLU . 84.8 mm-40 -62.32 -31.42 72.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.24 -41.03 75.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.364 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.3 mt -63.62 -54.9 28.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -52.33 -20.96 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.88 -50.76 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -47.49 -26.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 p -57.06 -20.95 27.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.8 mt -58.34 -65.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.452 HG23 ' H ' ' A' ' 98' ' ' LYS . 10.1 t -74.4 -7.75 53.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.31 22.39 10.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.459 ' HE2' ' CG1' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -147.05 143.25 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.8 p -134.14 146.87 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -113.38 100.78 8.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 73' ' ' ILE . 48.7 mt -99.09 115.83 29.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' MET . 0.6 OUTLIER -96.06 108.52 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' A' ' 16' ' ' THR . 36.3 mm -98.0 163.47 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.444 ' N ' HG22 ' A' ' 103' ' ' ILE . 4.4 tt0 -132.86 146.79 52.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 15' ' ' GLU . 38.2 p90 -146.37 -179.65 6.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.23 115.32 30.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.964 HG21 ' CE1' ' A' ' 13' ' ' HIS . 2.6 m -70.75 155.74 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.08 141.91 30.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.409 ' HG2' HG23 ' A' ' 12' ' ' VAL . 1.6 mt-10 -73.87 168.24 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -66.91 105.09 1.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.0 t 64.28 126.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 9.0 pt -60.52 113.8 8.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 85.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.4 -60.81 1.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.028 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.61 107.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 171.12 159.17 16.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.2 t -54.41 -59.47 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 78.7 97.12 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 161.7 38.32 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.48 -58.73 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.3 t 44.86 91.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.78 149.54 9.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t 65.98 150.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.96 -154.28 9.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 m -75.57 168.55 19.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -108.08 169.38 8.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 -159.11 10.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.42 -52.01 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.61 117.62 2.75 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.725 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -50.36 -179.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.725 HG12 ' O ' ' A' ' 10' ' ' GLN . 7.9 p 50.51 173.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.67 HG23 ' HG3' ' A' ' 109' ' ' GLU . 8.3 p -98.68 161.86 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -109.84 162.88 14.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.57 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.72 141.51 51.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 3.1 mt-10 -112.2 156.7 21.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 103' ' ' ILE . 0.7 OUTLIER -119.7 139.17 52.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.421 HG22 ' HB ' ' A' ' 103' ' ' ILE . 2.1 t -112.31 162.27 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.416 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.74 111.9 16.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.063 HG21 HD21 ' A' ' 64' ' ' LEU . 5.0 t -95.17 131.61 41.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.747 HG13 ' HG2' ' A' ' 98' ' ' LYS . 41.6 t -120.71 99.35 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.656 HD23 HD11 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -98.8 121.65 41.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 24' ' ' ASP . 2.8 m -83.73 102.21 12.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -36.88 97.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.5 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -65.01 161.33 48.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.2 Cg_endo -75.08 0.53 8.82 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.453 1.764 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.692 HG12 HG23 ' A' ' 27' ' ' THR . 77.9 t -129.2 -61.2 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.692 HG23 HG12 ' A' ' 26' ' ' VAL . 82.4 p -116.19 76.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.565 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -20.8 -90.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.607 ' CD1' HG12 ' A' ' 99' ' ' VAL . 14.1 m-85 -111.42 -20.54 12.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.61 64.77 3.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.656 HD11 HD23 ' A' ' 21' ' ' LEU . 4.7 mt -136.87 147.13 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 50' ' ' SER . 7.4 mm-40 -134.83 136.0 42.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.684 HD22 ' N ' ' A' ' 33' ' ' LEU . 1.1 mm? -98.59 154.54 17.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.37 144.26 39.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.74 -157.01 29.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.11 -176.75 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.4 m -101.51 -33.76 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -98.13 139.43 33.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -174.43 179.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.8 m -83.08 -86.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -95.22 -57.26 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.348 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.59 HG23 ' H ' ' A' ' 44' ' ' SER . 6.7 t -127.43 -137.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.519 ' N ' ' OG1' ' A' ' 42' ' ' THR . 16.0 tp -94.61 9.75 37.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.59 ' H ' HG23 ' A' ' 42' ' ' THR . 3.5 p 46.46 35.36 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.9 p 162.43 160.98 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.5 Cg_endo -74.97 147.86 34.64 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 0.0 111.022 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.681 ' HG2' HG13 ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.03 158.11 42.25 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.539 1.81 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 2.9 mt -140.07 137.72 34.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.477 HG21 ' CG1' ' A' ' 52' ' ' ILE . 65.0 mt -52.61 92.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLN . 11.6 t -53.96 -58.58 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.938 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 76.3 t80 -138.83 157.5 45.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.477 ' CG1' HG21 ' A' ' 49' ' ' ILE . 48.9 mt -127.81 107.63 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.89 151.67 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.79 166.02 16.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 t70 48.59 30.49 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -110.83 164.36 15.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.427 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.2 Cg_endo -75.05 -19.15 18.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -73.56 -25.27 60.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -97.0 -25.26 15.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -61.78 -38.98 90.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.711 ' HB3' HG22 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -57.98 -43.01 86.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 108.279 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.73 6.28 84.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.711 HG22 ' HB3' ' A' ' 61' ' ' CYS . 33.1 m -102.49 -16.17 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.063 HD21 HG21 ' A' ' 19' ' ' VAL . 27.7 mt -90.2 104.72 17.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 66' ' ' ILE . 10.2 tp60 -100.46 148.62 24.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 3.2 mm -58.66 113.12 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.82 26.62 7.04 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.128 . . . . 0.0 111.062 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.717 ' HB3' HD12 ' A' ' 103' ' ' ILE . 2.9 m-20 -53.47 -173.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.591 ' H ' HG23 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -125.82 61.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.681 HG13 ' HG2' ' A' ' 47' ' ' PRO . 7.9 p -58.86 87.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 102' ' ' GLU . 49.7 mmm -66.08 -34.04 77.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.992 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -147.88 -179.72 7.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.462 HG13 HG21 ' A' ' 78' ' ' THR . 69.7 mt -148.88 102.77 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 0.5 OUTLIER 74.6 11.06 3.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 109.244 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.89 -10.18 37.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.3 mm -79.2 132.56 62.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.2 Cg_endo -75.03 100.6 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.992 HG23 ' HA ' ' A' ' 72' ' ' ALA . 50.5 p -62.12 79.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 77' ' ' PRO . 7.5 tt0 -172.31 -36.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.45 41.98 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.88 -171.24 2.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.0 p -101.22 153.86 19.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -48.22 -32.98 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.54 -40.26 84.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.523 ' OE2' HD21 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -43.5 -62.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' LEU . . . -42.4 -61.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -46.22 -36.37 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -71.92 -36.21 69.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.523 HD21 ' OE2' ' A' ' 85' ' ' GLU . 14.6 mt -58.07 -21.47 45.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.7 mt -80.85 -51.22 8.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -58.35 -15.77 11.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.436 ' OD1' HD12 ' A' ' 95' ' ' ILE . 15.2 t0 -89.63 -54.04 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.55 -38.07 19.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.041 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.1 m -43.68 -31.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.958 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.436 HD12 ' OD1' ' A' ' 92' ' ' ASP . 9.8 mt -54.68 -64.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.2 t -70.36 -5.64 29.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.398 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.555 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 1.9 m 58.92 33.24 22.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.747 ' HG2' HG13 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -157.31 121.25 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.607 HG12 ' CD1' ' A' ' 29' ' ' PHE . 7.4 p -113.45 147.27 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.6 m -122.14 103.78 9.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.402 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.523 HD11 ' CD1' ' A' ' 31' ' ' ILE . 47.8 mt -98.89 118.77 36.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' MET . 2.4 tt0 -92.17 107.21 19.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.717 HD12 ' HB3' ' A' ' 68' ' ' ASP . 3.9 mm -102.23 167.05 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.455 ' N ' HG22 ' A' ' 103' ' ' ILE . 2.6 tt0 -141.4 122.29 14.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 15' ' ' GLU . 1.8 p90 -123.39 177.73 5.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -104.71 160.12 15.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.0 t -123.57 146.33 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.4 146.1 41.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.67 ' HG3' HG23 ' A' ' 12' ' ' VAL . 3.2 mt-10 -120.05 169.0 10.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.7 m -110.71 112.22 23.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.3 p -167.56 147.01 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.714 HG23 ' HD2' ' A' ' 113' ' ' PRO . 4.9 mp -121.97 142.17 35.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.714 ' HD2' HG23 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -74.96 176.7 9.56 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.78 155.22 44.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 41.7 t -97.61 128.1 44.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -83.51 -150.86 10.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.8 p -70.6 129.11 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 167.78 -168.47 40.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 57.1 4.5 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.801 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 87.3 p -138.26 121.2 16.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.959 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.6 m 53.35 89.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -174.18 165.5 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.84 -59.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.74 96.12 0.48 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.8 85.86 6.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.743 . . . . 0.0 109.979 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -174.96 165.21 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.36 -57.86 2.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.46 -70.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.4 105.21 1.56 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -93.6 129.5 39.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 0.798 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.529 HG22 ' H ' ' A' ' 12' ' ' VAL . 7.4 p -162.52 170.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.529 ' H ' HG22 ' A' ' 11' ' ' VAL . 9.8 p -85.25 162.79 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -112.81 165.7 12.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.601 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.32 136.12 47.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.552 ' HG3' HG21 ' A' ' 107' ' ' VAL . 51.8 mt-10 -117.32 148.15 41.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.254 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -102.12 143.8 31.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t -117.87 142.6 47.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.364 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -109.15 115.19 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.677 HG12 ' HB2' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -104.07 151.56 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.59 ' O ' HG13 ' A' ' 20' ' ' VAL . 11.0 p -126.37 103.71 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.548 HD11 HD11 ' A' ' 64' ' ' LEU . 23.7 mt -100.75 125.12 47.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' ALA . 4.9 m -93.63 107.12 19.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.464 ' HA ' ' C ' ' A' ' 28' ' ' GLY . . . -37.59 104.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.45 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -43.81 162.74 0.19 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 10.59 1.67 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.923 HG23 ' H ' ' A' ' 27' ' ' THR . 2.6 m -140.8 -82.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.923 ' H ' HG23 ' A' ' 26' ' ' VAL . 39.7 p -63.56 -72.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 57' ' ' PRO . . . 136.24 -95.1 0.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.658 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 28.2 m-85 -111.61 -23.56 10.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.428 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 49.59 71.04 0.67 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.463 HG12 ' CB ' ' A' ' 58' ' ' ALA . 6.3 mt -144.62 143.26 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.73 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' SER . 1.5 mt-30 -126.34 145.34 50.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.9 mt -107.2 157.4 17.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.547 ' CD ' HD12 ' A' ' 48' ' ' LEU . 3.7 pt20 -114.74 171.66 7.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -122.0 170.64 15.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.82 119.14 32.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 38' ' ' PHE . 3.7 p -48.68 -52.24 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.428 ' N ' HG13 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -103.41 153.78 20.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.96 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -176.39 -162.42 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -130.0 -71.44 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.44 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -108.62 -40.5 5.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.558 HG23 ' N ' ' A' ' 43' ' ' LEU . 7.3 t -123.48 -135.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.558 ' N ' HG23 ' A' ' 42' ' ' THR . 9.2 mt -90.11 16.09 9.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER 39.1 31.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 110.04 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.426 ' N ' ' C ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER 167.96 168.9 0.12 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 154.4 42.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.468 ' O ' HG12 ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.07 111.4 3.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 68' ' ' ASP . 0.7 OUTLIER -82.98 141.03 32.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.532 HD12 ' OD2' ' A' ' 68' ' ' ASP . 34.4 mt -60.68 104.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLN . 6.4 t -65.72 -55.38 17.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.646 ' HA ' HD12 ' A' ' 66' ' ' ILE . 83.3 t80 -142.77 152.19 42.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.422 HG22 ' HB2' ' A' ' 59' ' ' GLU . 18.3 mt -118.14 108.18 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -49.79 149.5 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 56' ' ' SER . . . -82.29 171.17 14.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 43.35 28.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 54' ' ' ALA . 2.9 p -109.24 163.95 15.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.522 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.0 -17.72 19.3 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 29' ' ' PHE . . . -74.59 -35.41 63.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' HB2' HG22 ' A' ' 52' ' ' ILE . 4.8 tp10 -83.49 -22.18 32.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -68.91 -47.33 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -41.89 78.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 108.281 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 82.1 -49.62 4.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -40.71 -31.9 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.548 HD11 HD11 ' A' ' 21' ' ' LEU . 16.0 mt -73.79 105.28 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -105.68 144.74 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 51' ' ' TYR . 22.4 mm -58.52 125.02 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.35 30.55 16.09 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.642 ' O ' HD23 ' A' ' 48' ' ' LEU . 38.4 p-10 -72.19 178.02 4.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.441 ' CZ ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -122.93 75.47 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 47' ' ' PRO . 2.7 p -72.9 115.51 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.0 mtp -84.56 -21.05 30.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.481 ' HB3' ' HB2' ' A' ' 102' ' ' GLU . . . -153.84 154.21 33.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.46 HG12 HD12 ' A' ' 101' ' ' LEU . 30.0 mt -119.87 -2.94 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.404 HD21 HD22 ' A' ' 89' ' ' LEU . 18.6 p30 170.0 42.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.91 -34.89 4.3 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.598 HG23 ' HD2' ' A' ' 77' ' ' PRO . 11.0 mm -63.22 139.31 97.54 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.598 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.2 Cg_endo -75.0 93.37 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.1 p -68.05 72.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -178.65 61.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -177.98 -39.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m -78.62 -169.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 85' ' ' GLU . 7.4 p -106.93 153.0 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 83' ' ' PHE . 1.9 t80 -38.47 -35.17 0.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -50.22 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -48.16 -60.77 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.2 -54.74 35.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.411 ' ND2' ' CZ ' ' A' ' 83' ' ' PHE . 1.9 t-20 -48.35 -38.88 20.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 91' ' ' ARG . 2.3 tp-100 -65.06 -43.44 92.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.404 HD22 HD21 ' A' ' 74' ' ' ASN . 47.2 mt -43.23 -44.62 5.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.521 HD22 ' CD2' ' A' ' 29' ' ' PHE . 15.5 mt -69.54 -40.17 77.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' GLN . 4.5 mtp180 -61.63 -33.19 73.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.324 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -86.95 -46.04 10.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.6 m -43.85 -37.51 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.96 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.7 p -44.62 -30.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.7 mt -59.64 -67.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 98' ' ' LYS . 11.6 t -72.14 -5.28 34.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.359 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m 49.9 33.09 6.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.406 ' H ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -151.27 133.11 15.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.574 HG13 HD21 ' A' ' 101' ' ' LEU . 10.4 p -134.54 150.53 30.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.3 m -116.59 106.5 13.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.677 ' HB2' HG12 ' A' ' 19' ' ' VAL . 1.3 mm? -98.99 115.3 28.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -93.93 106.17 18.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' A' ' 16' ' ' THR . 4.3 mm -101.31 158.35 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.6 tt0 -134.24 127.0 30.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.467 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 4.9 p90 -128.61 179.38 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -96.34 143.38 27.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.552 HG21 ' HG3' ' A' ' 15' ' ' GLU . 12.1 t -112.63 146.09 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.51 146.41 42.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -119.95 167.65 11.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.7 m -78.92 103.23 8.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.4 p -152.38 135.7 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.1 pp -57.17 109.67 1.9 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.96 5.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.3 -54.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.027 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.8 p -39.97 128.04 2.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -153.09 179.2 29.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.19 164.8 34.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.36 104.44 0.08 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 115.49 4.3 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.479 1.778 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.7 m -140.35 159.73 41.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 t -178.44 157.93 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.964 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -172.37 157.8 4.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 0.748 . . . . 0.0 110.045 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m 62.32 168.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 110.037 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.18 -125.27 4.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.43 170.53 11.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.22 169.98 21.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.46 132.09 3.5 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.51 139.2 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.335 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.68 111.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -98.07 126.46 43.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 0.787 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.499 HG22 ' N ' ' A' ' 12' ' ' VAL . 14.6 p -160.7 168.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.499 ' N ' HG22 ' A' ' 11' ' ' VAL . 10.0 p -96.31 162.69 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -108.48 166.2 10.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.635 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 p -120.52 150.3 41.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.382 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -119.27 -177.86 3.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -133.19 139.42 47.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.43 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.434 ' HB ' ' CE1' ' A' ' 105' ' ' PHE . 14.0 t -124.76 141.13 52.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.624 ' CD ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -95.58 120.5 35.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.1 t -99.27 117.1 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.624 HG23 ' CD ' ' A' ' 18' ' ' GLU . 42.5 t -105.83 104.52 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.537 HD13 HD11 ' A' ' 31' ' ' ILE . 15.3 mt -107.98 137.81 45.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 24' ' ' ASP . 4.8 m -101.01 108.24 19.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' THR . . . -39.83 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.473 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -52.64 170.64 0.24 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.2 Cg_endo -75.03 -13.17 21.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.525 HG12 HG23 ' A' ' 27' ' ' THR . 19.5 t -131.04 -61.87 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.574 ' O ' ' C ' ' A' ' 28' ' ' GLY . 29.5 p -97.07 69.88 2.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.362 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.574 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -21.8 -78.61 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.575 1.172 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.995 ' CD2' HD12 ' A' ' 90' ' ' LEU . 19.5 m-30 -115.97 -28.44 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 56.03 59.34 10.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.537 HD11 HD13 ' A' ' 21' ' ' LEU . 10.1 mt -133.69 144.21 36.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.779 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' SER . 4.5 mm-40 -126.1 131.1 52.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 33' ' ' LEU . 2.4 mm? -92.76 155.43 17.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.629 ' CD ' HD12 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -112.05 146.53 37.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -116.4 -157.55 11.08 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.462 1.101 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -157.71 169.13 25.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.738 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.9 m -99.68 -37.63 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -96.02 135.63 37.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 42' ' ' THR . . . -174.89 -165.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 m -130.06 -70.03 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.409 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -106.64 -40.66 5.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.407 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 62.7 p -123.63 -134.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.2 mt -93.44 12.55 24.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 40.54 30.94 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.977 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.33 160.57 0.96 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 151.83 40.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 98.36 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -81.36 145.39 30.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.531 ' O ' HG22 ' A' ' 49' ' ' ILE . 12.1 mt -60.52 95.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLN . 9.7 t -54.98 -53.49 55.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.972 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.528 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 86.2 t80 -148.24 156.72 42.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.5 mt -118.46 104.46 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.81 152.6 1.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.66 161.34 14.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.79 17.7 4.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.39 169.8 6.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -18.96 18.51 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.66 ' O ' HD23 ' A' ' 64' ' ' LEU . . . -72.04 -22.61 61.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.42 -30.86 15.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -52.32 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.871 ' O ' HG13 ' A' ' 63' ' ' VAL . 11.7 p -58.6 -25.48 62.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 108.286 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 38.64 52.53 2.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.888 HG23 HD13 ' A' ' 64' ' ' LEU . 22.8 m -119.65 -6.49 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.888 HD13 HG23 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -97.33 137.95 35.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -111.37 141.36 45.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.528 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 11.0 mm -53.98 106.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . 95.48 36.9 5.22 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.763 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.2 t0 -57.76 -160.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.502 ' N ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -137.74 55.06 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.619 ' CG1' HG21 ' A' ' 78' ' ' THR . 1.4 t -40.84 110.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.7 mmm -79.71 -22.18 43.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 76' ' ' ILE . . . -175.04 161.47 2.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.77 HG12 HD23 ' A' ' 101' ' ' LEU . 14.6 mt -126.51 104.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.449 ' ND2' ' OG ' ' A' ' 93' ' ' SER . 0.9 OUTLIER 66.64 16.29 10.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.23 -21.49 19.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.545 HG21 HD11 ' A' ' 89' ' ' LEU . 12.9 mm -62.45 130.31 93.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' GLU . 18.4 Cg_endo -75.0 93.85 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.511 1.795 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.619 HG21 ' CG1' ' A' ' 70' ' ' VAL . 1.7 p -62.59 78.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 77' ' ' PRO . 20.1 tt0 -177.63 38.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.8 t0 178.88 59.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.424 ' HB3' ' CB ' ' A' ' 85' ' ' GLU . 14.5 m -164.24 -166.72 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.03 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.415 ' C ' ' N ' ' A' ' 84' ' ' GLU . 6.2 p -117.34 150.48 38.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.367 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.435 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 8.1 t80 -42.14 -26.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.05 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 82' ' ' THR . 7.2 mt-10 -75.96 -51.76 11.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.424 ' CB ' ' HB3' ' A' ' 81' ' ' SER . 26.6 mm-40 -38.81 -66.65 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -44.03 -61.46 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.465 ' OD1' HD23 ' A' ' 33' ' ' LEU . 13.5 m-20 -44.49 -41.55 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.78 -44.09 86.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.545 HD11 HG21 ' A' ' 76' ' ' ILE . 18.8 mt -50.16 -35.26 25.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.995 HD12 ' CD2' ' A' ' 29' ' ' PHE . 4.4 mm? -70.65 -58.44 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -46.27 -48.73 17.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -60.43 3.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.449 ' OG ' ' ND2' ' A' ' 74' ' ' ASN . 44.8 m -44.45 -37.36 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.5 t -46.83 -24.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.0 mt -54.87 -60.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.8 t -74.54 -1.89 23.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.49 33.1 22.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.21 134.01 10.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.707 HG21 HD13 ' A' ' 90' ' ' LEU . 11.6 p -135.46 145.61 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.563 HG23 ' HG3' ' A' ' 18' ' ' GLU . 1.3 m -115.47 97.3 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.379 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.77 HD23 HG12 ' A' ' 73' ' ' ILE . 1.5 mt -92.63 115.79 28.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 1.3 tp10 -82.92 119.72 24.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 104' ' ' GLU . 8.9 mm -114.23 164.0 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.482 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.8 tt0 -132.05 127.36 35.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.492 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 3.1 p90 -132.86 178.12 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.0 156.83 16.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.415 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 98.2 t -126.52 143.64 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.15 131.7 48.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -114.05 168.27 9.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.7 t -96.08 98.89 10.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.961 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.4 p -159.97 129.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 1.3 pt -56.23 139.29 73.08 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 112' ' ' ILE . 18.1 Cg_endo -74.98 -177.78 3.7 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 64.5 p -104.02 167.29 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.8 m -124.69 111.08 15.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.022 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 137.76 68.13 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.27 114.76 4.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 0.0 109.978 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -132.29 72.73 0.48 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.06 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 169.47 22.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.38 91.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.7 t 52.33 95.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.989 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m -100.43 150.54 22.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.971 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -96.37 151.66 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.035 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.45 99.26 0.22 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -124.12 160.79 27.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.8 166.69 13.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.22 122.62 5.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.75 168.9 23.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.2 96.68 0.12 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.118 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.704 ' O ' HG12 ' A' ' 11' ' ' VAL . 21.8 pt20 -48.7 176.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.756 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.704 HG12 ' O ' ' A' ' 10' ' ' GLN . 9.9 p 50.4 172.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.628 HG22 HG22 ' A' ' 107' ' ' VAL . 4.1 p -78.28 163.41 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.69 ' O ' HG22 ' A' ' 107' ' ' VAL . 18.2 p-80 -123.51 166.31 15.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.59 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.38 135.08 54.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.435 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 14.1 mt-10 -118.5 145.09 45.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -103.01 139.98 37.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -114.7 146.4 40.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' HG3' HG23 ' A' ' 100' ' ' THR . 0.4 OUTLIER -105.84 123.08 47.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 t -112.0 107.74 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.617 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.2 p -90.24 105.8 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.3 mt -105.76 134.42 48.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.4 m -100.33 109.66 21.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -42.81 98.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.466 ' N ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -50.2 170.6 0.16 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.407 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 18.3 Cg_endo -75.01 -14.75 21.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.528 1.804 . . . . 0.0 111.051 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 27' ' ' THR . 16.2 t -129.35 -62.42 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.562 ' O ' ' C ' ' A' ' 28' ' ' GLY . 33.8 p -96.26 69.66 2.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -22.09 -89.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.515 ' CD2' HD22 ' A' ' 90' ' ' LEU . 23.9 m-85 -112.0 -24.14 10.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.77 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 49.45 66.84 2.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 111.052 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.3 mt -133.99 145.44 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.498 ' C ' HD22 ' A' ' 33' ' ' LEU . 3.2 mt-30 -128.24 134.44 48.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.839 HD12 ' HB2' ' A' ' 47' ' ' PRO . 0.7 OUTLIER -101.77 165.3 11.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.01 139.38 53.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -118.34 -148.39 8.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.62 167.05 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 37' ' ' VAL . 8.8 m -80.32 -24.66 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.624 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -122.96 -179.63 4.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.624 ' HB2' ' O ' ' A' ' 38' ' ' PHE . . . 168.6 -179.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.8 m -125.91 -72.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.443 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.501 ' HG2' HG22 ' A' ' 42' ' ' THR . 2.5 pt-20 -113.53 -29.01 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.788 HG23 ' H ' ' A' ' 44' ' ' SER . 4.3 t -149.09 -132.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.518 ' N ' ' OG1' ' A' ' 42' ' ' THR . 19.7 tp -105.4 6.93 32.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.788 ' H ' HG23 ' A' ' 42' ' ' THR . 0.3 OUTLIER 37.83 34.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 170.93 169.85 0.2 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.4 Cg_endo -74.97 148.23 35.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.839 ' HB2' HD12 ' A' ' 33' ' ' LEU . 18.3 Cg_endo -75.0 74.3 4.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.504 HD23 ' CA ' ' A' ' 67' ' ' GLY . 0.8 OUTLIER -38.73 138.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.6 mt -65.5 94.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.0 t -52.37 -58.61 6.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.521 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 89.9 t80 -148.13 158.46 44.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 111.038 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.9 mt -123.02 109.87 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.43 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -51.05 149.83 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.38 169.98 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.5 t0 45.02 28.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.25 164.96 13.61 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.44 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 18.3 Cg_endo -75.04 -18.99 18.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.407 1.741 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.741 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -72.32 -43.26 64.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -75.46 -27.88 59.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -60.54 -46.4 90.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -42.98 82.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.252 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 64' ' ' LEU . . . 82.35 -48.44 3.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.1 m -41.55 -30.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.741 HD12 ' O ' ' A' ' 58' ' ' ALA . 13.1 mt -74.41 107.52 6.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -102.19 154.37 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.172 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.521 ' CD1' ' HA ' ' A' ' 51' ' ' TYR . 6.0 mm -69.67 119.06 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.504 ' CA ' HD23 ' A' ' 48' ' ' LEU . . . 85.79 38.34 8.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.44 ' HB3' HD12 ' A' ' 103' ' ' ILE . 0.8 OUTLIER -82.09 -177.82 6.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.42 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -120.43 98.27 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 72' ' ' ALA . 9.7 p -96.63 123.2 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.402 ' O ' ' OG1' ' A' ' 78' ' ' THR . 5.6 mtp -86.95 -22.89 25.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.855 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -151.85 156.43 40.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.512 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 16.0 mt -119.41 1.62 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.9 p30 169.51 43.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.57 -33.75 4.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.605 HG23 ' HD2' ' A' ' 77' ' ' PRO . 19.6 mm -66.21 139.96 96.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.75 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.2 Cg_endo -74.97 98.67 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.515 1.798 . . . . 0.0 111.02 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.855 HG23 ' HA ' ' A' ' 72' ' ' ALA . 33.1 p -59.17 84.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.395 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.2 OUTLIER 179.16 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.69 -25.12 65.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.0 m -97.45 -164.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.4 p -114.65 165.39 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.432 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -52.83 -26.88 15.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.92 -45.5 64.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.3 -53.15 30.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.333 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.04 -59.41 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -53.46 -44.15 68.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -45.41 94.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.467 HD12 ' HB ' ' A' ' 73' ' ' ILE . 7.6 mt -42.13 -50.92 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.515 HD22 ' CD2' ' A' ' 29' ' ' PHE . 20.2 mt -57.86 -62.17 2.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -39.5 -39.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.791 ' O ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -78.57 -49.73 12.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -46.37 -26.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t -54.45 -39.61 67.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.791 HD12 ' O ' ' A' ' 92' ' ' ASP . 1.8 mp -44.75 -73.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.481 HG23 ' H ' ' A' ' 98' ' ' LYS . 6.9 t -62.03 -16.17 49.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.31 29.6 7.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.481 ' H ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -152.4 143.19 22.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.605 HG22 ' CD1' ' A' ' 101' ' ' LEU . 11.7 p -139.59 150.9 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.46 HG23 ' HG3' ' A' ' 18' ' ' GLU . 23.3 m -116.91 97.6 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.376 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.605 ' CD1' HG22 ' A' ' 99' ' ' VAL . 3.1 mp -92.26 110.6 22.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -91.33 104.29 16.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.44 HD12 ' HB3' ' A' ' 68' ' ' ASP . 18.6 mm -99.48 160.59 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -134.22 145.99 49.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 15' ' ' GLU . 34.8 p90 -143.83 -179.23 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.58 116.23 31.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.179 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 13' ' ' HIS . 2.9 m -70.68 155.19 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -87.24 153.84 21.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.35 158.47 23.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 37.4 m -74.97 104.99 5.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.966 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.8 t -86.35 142.3 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.344 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.438 HG23 ' HD2' ' A' ' 113' ' ' PRO . 4.3 mt -55.89 135.79 72.95 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.02 110.95 3.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.03 83.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.34 113.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -43.52 127.96 5.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.3 m -53.67 145.76 14.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 131.21 87.99 0.44 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -42.57 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.1 p 40.75 80.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.4 t -105.79 113.66 27.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.959 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.982 . . . . . . . . 0 0 . 1 stop_ save_