data_2eoc_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 2eoc _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 ' 45' ' ' ILE . . . . . . . . . . . . . 41.3 mm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.786 0.327 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.44 HG21 ' CG1' ' A' ' 62' ' ' VAL . 41.2 mm -118.99 147.69 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' N ' HG22 ' A' ' 46' ' ' ILE . 17.1 mmm180 -125.71 119.65 28.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.1 t -48.79 122.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.415 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 4.1 t70 -40.61 141.4 0.91 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.5 Cg_endo -69.75 -47.79 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.1 p -52.38 -26.72 13.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.5 t -73.59 138.92 77.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.28 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.5 mt -46.67 -34.6 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.2 p -40.68 -48.28 2.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 t -62.55 -43.1 99.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -55.89 129.3 71.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.631 0.729 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.22 32.47 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.58 -32.24 7.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 98.0 m -63.65 109.61 1.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 0.0 111.155 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -123.04 166.84 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.44 ' CG1' HG21 ' A' ' 46' ' ' ILE . 80.5 t -83.53 106.25 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 82.9 t80 -44.51 119.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.575 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 15.3 mt-10 50.64 -144.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.23 30.61 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.559 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 30.7 m-85 -75.02 74.73 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.408 ' ND2' ' CD1' ' A' ' 46' ' ' ILE . 2.7 p30 -146.02 103.98 3.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.0 p -133.23 136.34 45.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.41 HG21 ' N ' ' A' ' 70' ' ' LEU . 92.0 m -100.98 136.04 41.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.41 ' N ' HG21 ' A' ' 69' ' ' THR . 23.3 mt -119.78 142.14 48.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -118.75 160.19 22.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -153.43 107.82 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -110.31 150.27 28.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -146.24 142.33 28.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 10.0 tt -75.73 51.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -133.65 107.78 8.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 41.86 40.94 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 46.73 54.55 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -98.37 119.49 37.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.405 ' HB2' ' CG2' ' A' ' 104' ' ' VAL . 0.8 OUTLIER -131.19 145.74 52.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.429 ' N ' HG21 ' A' ' 104' ' ' VAL . 30.1 mttm -132.35 158.13 42.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -131.33 135.04 46.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -118.44 125.07 49.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 79.9 mt -119.27 133.16 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.456 HG23 ' CD2' ' A' ' 125' ' ' PHE . 58.4 mt -133.15 102.94 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -120.36 147.79 44.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.503 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.3 tt -107.3 115.4 30.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.0 mt -103.06 163.42 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -147.27 125.9 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -95.09 168.9 10.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t -72.4 -1.47 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.476 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 3.3 m120 -99.89 37.14 1.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 40.39 39.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 21.3 m-85 -133.15 123.07 24.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CE2' HD11 ' A' ' 118' ' ' LEU . 40.1 m-85 -91.75 160.34 15.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.8 m -142.29 122.09 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 34.1 m -85.63 106.31 16.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -86.54 113.26 22.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -118.75 119.12 33.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -126.25 133.07 51.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.4 p90 -141.38 172.79 12.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.5 -137.74 5.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -110.47 128.19 55.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.429 HG21 ' N ' ' A' ' 81' ' ' LYS . 45.0 t -49.55 115.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.47 -34.97 4.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -103.13 174.17 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 66.3 t -69.09 -45.82 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.23 -161.68 53.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -79.64 -176.02 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.5 p -155.34 121.97 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -127.73 140.62 51.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 9.1 tt -135.55 140.62 44.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -129.32 135.47 48.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -107.07 126.93 53.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -120.66 132.1 54.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.2 p -73.69 -39.84 64.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -93.6 146.94 23.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.555 HD11 ' CE2' ' A' ' 95' ' ' PHE . 34.1 tp -69.93 -61.9 1.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -45.67 -49.7 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -45.31 -49.31 12.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.67 93.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -56.69 -47.78 79.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -51.97 -39.14 58.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.41 -40.82 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 66' ' ' TYR . 5.3 t80 -62.82 -46.91 85.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -74.06 -49.95 21.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 127' ' ' LYS . 0.2 OUTLIER -50.68 -55.79 14.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.405 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 13.7 tppt? -57.86 -57.4 12.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -47.36 -58.18 4.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 134' ' ' LYS . 11.1 ttt85 -60.19 -30.78 69.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.25 -22.89 61.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -99.88 -24.69 14.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.444 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 70.6 p -111.67 4.44 18.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 130' ' ' ARG . 15.2 mtpp 42.19 33.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 5.6 m-80 -140.31 167.87 21.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -95.41 136.32 35.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -59.12 -36.55 75.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.74 -42.13 74.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.574 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 13.9 mt-10 -91.61 35.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -60.46 -16.1 33.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.5 -44.76 89.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -98.77 35.85 1.77 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 41.5 t80 -54.96 107.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 99.6 t -90.06 120.72 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.4 p -89.34 110.18 21.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -89.9 148.33 39.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 111.66 2.88 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 109.37 -36.54 4.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -68.66 -177.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -82.59 141.83 32.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 19.3 p -100.21 166.04 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.2 tt -110.4 114.94 28.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.471 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -116.24 169.98 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.546 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 10.3 pt-20 -119.13 14.78 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.546 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 7.9 p 50.43 172.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' GLN . . . . . 0.42 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 34.2 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.1 mm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.836 0.35 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.469 HG21 ' CG1' ' A' ' 62' ' ' VAL . 46.0 mm -122.71 138.34 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.422 ' N ' HG22 ' A' ' 46' ' ' ILE . 26.8 mmm-85 -112.59 121.39 44.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ASP . 67.0 t -52.14 110.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 2.4 t70 -35.28 142.03 0.27 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.0 Cg_endo -69.76 -41.07 4.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.405 HG23 ' NE ' ' A' ' 100' ' ' ARG . 37.0 p -51.26 -27.53 9.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.3 t -78.45 136.83 59.82 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.604 0.716 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -47.61 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.2 mt -45.23 -36.38 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -39.83 -47.17 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.4 t -62.03 -44.02 97.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -57.33 127.96 77.81 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.98 20.21 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.219 . . . . 0.0 112.36 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.55 -36.54 4.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 93.3 m -64.12 109.61 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 111.164 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -126.51 154.1 44.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.469 ' CG1' HG21 ' A' ' 46' ' ' ILE . 90.8 t -66.97 105.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 59.4 t80 -47.87 115.47 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.558 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 13.1 mt-10 55.02 -146.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.1 34.22 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.4 ' HD1' ' CE1' ' A' ' 125' ' ' PHE . 23.3 m-85 -77.9 79.39 4.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.2 t30 -152.49 101.1 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.9 p -125.19 141.92 51.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.7 m -102.19 133.21 47.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.7 mt -115.86 146.04 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -130.67 148.33 52.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.545 ' OE1' ' CZ ' ' A' ' 150' ' ' TYR . 13.2 pt20 -150.59 124.52 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.5 p -124.85 155.49 39.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -144.84 148.9 34.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.0 tt -75.53 50.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.85 108.61 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.3 p30 42.42 40.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 30.9 m120 48.08 54.98 9.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -81.51 112.38 18.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -132.66 127.32 34.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -129.92 178.85 6.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -145.32 135.58 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -119.63 123.7 44.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 85' ' ' ILE . 94.6 mt -117.42 138.27 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.461 HG22 ' CD2' ' A' ' 125' ' ' PHE . 50.1 mt -137.42 110.5 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -126.82 146.25 50.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.53 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.4 tt -104.75 107.55 18.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.404 ' CD2' HG23 ' A' ' 62' ' ' VAL . 19.3 mt -94.12 151.69 19.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.451 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -118.72 143.38 46.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.48 164.85 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 t -66.74 -21.4 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.423 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 2.4 m-80 -85.05 45.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' ASN . 8.0 ptm180 36.6 35.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.426 ' CD1' ' HA ' ' A' ' 116' ' ' THR . 17.6 m-85 -121.71 -175.48 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CZ ' HD11 ' A' ' 118' ' ' LEU . 58.8 m-85 -148.93 164.65 33.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.6 m -142.83 123.28 13.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.4 m -83.97 103.99 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 -89.75 110.62 21.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -113.64 117.75 32.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.405 ' NE ' HG23 ' A' ' 51' ' ' THR . 36.8 ttp85 -123.16 111.96 17.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.526 ' CZ3' ' HB2' ' A' ' 111' ' ' LYS . 27.4 p90 -121.6 163.91 18.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.07 -171.99 33.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.437 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -72.01 139.87 48.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.0 t -55.9 115.04 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 116.58 -39.06 2.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.55 170.19 10.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.0 t -69.03 -46.97 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.33 -167.72 43.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -70.53 176.54 4.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.6 p -136.17 118.43 15.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 101' ' ' TRP . 9.5 tptp -129.95 134.6 47.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 14.0 tt -141.83 134.38 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -128.56 135.34 49.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -106.17 121.11 43.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -115.76 134.44 55.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.426 ' HA ' ' CD1' ' A' ' 94' ' ' PHE . 54.5 p -81.13 -37.87 28.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 36.6 mtt-85 -91.88 113.6 25.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.566 HD11 ' CZ ' ' A' ' 95' ' ' PHE . 18.3 tp -43.55 -53.23 5.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -49.25 -55.61 12.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.42 -48.23 5.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.02 -48.52 81.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -55.67 -47.74 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -55.56 -44.01 76.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -66.89 -36.57 82.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.461 ' CD2' HG22 ' A' ' 85' ' ' ILE . 6.4 t80 -67.41 -46.47 73.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -74.04 -38.61 63.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.28 -56.94 15.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -56.24 -49.93 72.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -56.4 -56.59 19.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 134' ' ' LYS . 13.9 ttt85 -60.93 -30.9 70.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.04 -24.8 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.569 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 23.6 mmtp -97.4 -26.83 14.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.457 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 72.4 p -112.37 10.55 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 130' ' ' ARG . 31.2 mtpt 35.04 39.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -143.74 166.7 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -94.0 138.92 31.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -61.62 -35.43 77.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.4 -31.79 71.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.57 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 31.6 mt-10 -86.29 24.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -51.73 -25.48 7.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -56.64 -50.29 72.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.4 p-80 -111.06 46.36 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 24.7 t80 -56.52 115.47 2.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 92.2 t -92.42 143.15 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.9 t -116.66 150.97 37.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -132.32 151.8 78.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.552 0.692 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 124.54 11.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 101.87 -40.19 2.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -76.82 -175.5 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.569 ' CD2' ' HD2' ' A' ' 132' ' ' LYS . 24.8 m-85 -80.37 157.16 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.5 p -117.93 166.6 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 41.8 tp -106.7 111.88 24.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.474 HD12 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -117.61 175.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.537 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 13.9 pt-20 -124.47 17.98 8.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.537 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 6.5 p 50.45 172.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' GLN . . . . . 0.423 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 18.7 pt20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.1 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.76 0.314 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.9 mm -114.91 159.61 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -141.72 116.95 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.465 ' CG2' HG22 ' A' ' 62' ' ' VAL . 94.8 t -43.58 107.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -34.61 142.51 0.23 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 110.878 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.4 Cg_endo -69.78 -36.22 11.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.331 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 p -55.76 -34.87 65.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.532 ' HA ' ' CH2' ' A' ' 98' ' ' TRP . 9.3 t -67.68 138.08 93.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.63 0.728 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.381 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.1 mt -46.54 -34.84 5.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.5 p -40.16 -44.72 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.3 t -59.89 -44.81 94.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.821 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -58.03 130.04 82.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.06 41.94 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.7 -39.85 2.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.5 m -57.98 104.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.716 0.293 . . . . 0.0 111.146 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -117.89 167.63 11.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.465 HG22 ' CG2' ' A' ' 48' ' ' VAL . 91.2 t -84.2 102.27 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 67.9 t80 -40.91 125.05 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 13.5 mt-10 41.4 -146.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -107.47 39.86 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.539 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 43.5 m-85 -84.59 78.89 9.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -157.32 106.54 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.3 p -133.2 143.16 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.5 m -100.98 135.78 41.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.0 mt -119.95 143.61 47.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -122.32 150.99 41.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -146.44 107.43 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.8 p -110.01 156.91 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -148.51 146.3 28.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.0 tt -75.71 52.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -134.2 108.58 8.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 41.95 40.77 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 47.43 54.78 9.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -94.75 114.88 26.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.421 ' C ' HG23 ' A' ' 104' ' ' VAL . 11.8 m-20 -123.08 141.31 52.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.435 ' N ' HG23 ' A' ' 104' ' ' VAL . 18.3 mtpp -136.13 167.37 21.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -146.12 150.54 36.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -125.05 136.61 53.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.1 mt -120.05 140.35 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.455 HD11 ' CG ' ' A' ' 128' ' ' LYS . 55.5 mt -143.07 106.86 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -127.98 141.91 51.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 tt -103.95 109.55 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.0 mt -94.57 155.02 17.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.46 ' HG3' ' CE2' ' A' ' 95' ' ' PHE . 56.1 tt0 -127.85 131.55 49.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -100.14 170.73 8.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 66.5 m -71.63 -31.01 66.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.563 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 44.9 m-20 -85.49 49.07 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' ASN . 12.6 ptm180 34.59 35.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 22.4 m-85 -118.13 117.53 29.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.46 ' CE2' ' HG3' ' A' ' 89' ' ' GLN . 74.2 m-85 -94.11 159.67 15.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.411 ' CG2' ' O ' ' A' ' 113' ' ' ASN . 47.5 m -140.63 125.78 18.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 113' ' ' ASN . 8.7 m -82.26 102.57 11.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.532 ' CH2' ' HA ' ' A' ' 52' ' ' CYS . 39.3 t-105 -87.44 115.54 24.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -120.41 141.75 49.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.455 ' NH1' ' O ' ' A' ' 107' ' ' VAL . 15.2 ttm-85 -146.8 135.61 22.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 21.6 p90 -148.35 179.17 7.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.46 -141.26 9.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -100.17 137.75 38.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 81' ' ' LYS . 99.0 t -59.76 112.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.67 -30.68 5.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -112.15 150.11 31.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.557 ' CG1' ' N ' ' A' ' 108' ' ' GLY . 1.4 p -41.78 -47.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.557 ' N ' ' CG1' ' A' ' 107' ' ' VAL . . . 82.39 -150.87 29.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.446 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.422 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 9.9 mm-40 -86.62 -174.8 5.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 66.3 p -150.3 139.87 21.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -153.47 124.75 7.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.0 tt -123.67 136.57 59.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.411 ' O ' ' CG2' ' A' ' 96' ' ' THR . 3.3 m-80 -122.18 136.8 54.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -107.3 133.63 51.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -133.74 133.17 41.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.5 p -78.67 -36.76 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -92.7 139.09 30.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.73 -63.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -43.43 -52.55 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.25 -49.48 6.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.89 96.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -57.82 -45.24 86.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 38.0 mtpt -57.35 -45.16 84.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.84 -46.8 77.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 66' ' ' TYR . 3.3 t80 -57.94 -53.67 55.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.2 -52.75 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -48.24 -56.14 8.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.455 ' CG ' HD11 ' A' ' 85' ' ' ILE . 14.3 tppt? -51.75 -45.65 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.413 ' CD2' ' N ' ' A' ' 130' ' ' ARG . 18.0 t80 -64.29 -66.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 134' ' ' LYS . 8.6 ttt-85 -49.3 -29.82 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -73.37 -31.52 63.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.555 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 40.4 mmtt -91.12 -22.62 20.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 82.6 p -113.83 6.08 16.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.168 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 130' ' ' ARG . 27.6 mtpp 39.2 39.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 2.8 m-80 -144.86 163.26 34.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -91.06 134.05 34.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -56.52 -39.03 72.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.31 89.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.594 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 13.2 mt-10 -92.37 38.22 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 19.0 ptt-85 -63.18 -17.32 62.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.82 -47.2 80.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -94.45 34.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 74.6 t80 -52.01 116.13 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 95.8 t -99.13 128.03 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.2 p -96.93 109.52 22.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -93.15 153.03 41.72 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 120.36 7.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 97.37 -40.85 2.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.74 177.73 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.555 ' CD2' ' HD2' ' A' ' 132' ' ' LYS . 16.5 m-85 -79.04 142.21 36.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.6 p -101.41 166.54 10.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 44.4 tp -109.29 109.71 20.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.481 HD11 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -115.9 168.61 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.534 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 10.4 pt-20 -118.1 17.24 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 6.1 p 50.58 173.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' GLN . . . . . 0.42 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 49.0 mt-30 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.1 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.771 0.319 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.3 mm -115.21 133.9 60.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -108.38 114.5 28.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ASP . 89.6 t -50.12 116.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -36.18 141.86 0.33 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.854 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.1 Cg_endo -69.8 -38.89 7.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.252 . . . . 0.0 112.361 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -56.38 -31.83 64.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.5 t -68.16 134.92 91.43 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.542 0.687 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -51.31 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' ASN . 53.6 mt -45.77 -33.42 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' LEU . 60.3 p -37.25 -42.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.4 t -66.28 -44.4 83.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' LEU . 47.3 m-20 -54.26 126.71 54.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.601 0.715 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 130.74 19.81 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.36 -34.15 5.87 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.1 m -59.47 104.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.738 0.304 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -117.93 157.55 26.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.445 HG21 ' CD2' ' A' ' 88' ' ' LEU . 94.4 t -80.79 109.56 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.542 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 63.9 t80 -45.39 119.6 2.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.542 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 9.2 mt-10 48.59 -144.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -105.67 44.35 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -87.79 78.85 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -157.3 105.66 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.4 m -139.78 164.08 30.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.431 HG21 ' N ' ' A' ' 70' ' ' LEU . 20.6 m -118.4 146.61 44.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 150' ' ' TYR . 50.9 mt -118.29 146.23 44.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -134.71 144.82 47.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.517 ' OE1' ' CE2' ' A' ' 150' ' ' TYR . 11.5 pt20 -151.79 125.45 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.5 p -125.38 158.21 34.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -149.52 148.57 29.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.7 tt -75.52 51.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -134.6 108.84 8.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 42.59 41.14 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 m120 48.0 54.56 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.407 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 2.8 t-20 -81.27 112.66 18.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 79' ' ' ASN . 5.1 m-20 -133.42 123.38 25.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -132.88 174.84 9.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -143.9 159.28 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -142.5 124.08 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 89.3 mt -113.45 135.64 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.431 HG23 ' CE2' ' A' ' 125' ' ' PHE . 75.1 mt -137.88 108.32 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -121.74 158.28 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 tt -115.89 108.0 15.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.445 ' CD2' HG21 ' A' ' 62' ' ' VAL . 29.2 mt -95.65 157.42 15.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.561 ' HG3' ' CE2' ' A' ' 95' ' ' PHE . 22.1 tt0 -137.89 130.32 29.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -98.22 169.32 9.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.5 p -63.85 -32.73 74.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.563 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 6.3 m-20 -81.35 49.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 92' ' ' ASN . 1.3 ppt_? 32.13 36.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.3 m-85 -115.02 120.34 39.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 89' ' ' GLN . 49.8 m-85 -92.89 160.81 14.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.8 m -147.24 120.58 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 5.5 m -86.12 109.44 18.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 49.6 t-105 -87.14 112.63 22.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -110.04 127.72 55.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -136.6 116.46 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -132.1 176.77 8.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.38 -124.22 1.98 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -119.31 156.54 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.0 t -70.24 121.73 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.78 29.97 9.41 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -160.29 154.72 23.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.4 t -57.47 -39.49 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.21 -171.36 36.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -59.25 173.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.943 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 m -142.15 118.93 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -136.3 124.57 23.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.6 tt -124.02 134.94 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -125.7 133.9 51.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -108.71 130.48 55.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -122.83 130.44 52.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.1 p -71.31 -41.95 69.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -92.42 145.93 24.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.554 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 30.4 tp -69.5 -59.55 2.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -45.01 -54.49 6.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -45.85 -47.35 15.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.26 -49.63 74.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -51.4 -46.95 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -53.98 -43.42 69.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.02 -37.92 86.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.431 ' CE2' HG23 ' A' ' 85' ' ' ILE . 2.3 t80 -69.15 -56.36 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -61.99 -38.75 89.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -63.62 -58.48 6.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 16.6 tppt? -60.13 -45.6 92.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -61.6 -48.43 80.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 134' ' ' LYS . 18.1 ttt-85 -67.94 -29.81 68.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.14 -22.04 60.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.442 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 69.2 mmtt -99.3 -27.54 13.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 65.7 p -108.67 -1.73 19.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 130' ' ' ARG . 16.8 mtpp 50.13 36.86 13.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 4.5 m-80 -148.51 162.04 40.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -86.02 135.65 33.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -59.19 -34.0 71.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.74 -32.23 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.484 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 15.9 mt-10 -85.11 27.48 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -53.37 -24.76 13.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.3 -49.97 72.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' HIS . . . . . 0.484 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.8 p-80 -108.48 50.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -71.7 112.57 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.6 p -90.78 132.91 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 31.3 p -99.39 99.23 10.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -80.33 149.44 68.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.571 0.701 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 131.12 20.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 0.0 112.358 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 92.55 -40.52 2.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -71.85 175.43 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.517 ' CE2' ' OE1' ' A' ' 72' ' ' GLN . 12.2 m-85 -74.01 137.45 43.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.4 p -101.72 166.46 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 38.7 tp -105.78 108.84 20.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.483 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -111.78 178.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.55 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 9.1 pt-20 -130.87 16.01 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.55 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 6.3 p 50.71 172.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' GLN . . . . . 0.404 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 75.7 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.4 mm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.798 0.332 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.8 mm -122.02 143.68 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -113.99 111.92 22.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' ASP . 99.9 t -44.05 117.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -34.98 141.98 0.26 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.676 0.751 . . . . 0.0 110.805 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.3 Cg_endo -69.83 -31.46 20.19 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.731 2.288 . . . . 0.0 112.29 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.6 p -59.28 -38.19 79.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.152 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 38.3 t -67.67 136.93 92.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -50.03 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.417 ' CD1' HD11 ' A' ' 112' ' ' ILE . 63.5 mt -43.19 -34.99 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.1 p -40.81 -48.58 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.6 m -59.22 -45.59 90.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -55.39 128.35 67.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.613 0.721 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 134.5 28.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.371 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.99 -33.72 6.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 95.7 m -66.68 93.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 111.133 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -109.33 178.28 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.1 t -95.49 108.94 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.579 ' CD2' HD23 ' A' ' 87' ' ' LEU . 29.9 t80 -53.9 99.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.563 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 5.3 mt-10 72.48 -145.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -113.33 40.05 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.402 ' HD1' ' CE1' ' A' ' 125' ' ' PHE . 15.2 m-85 -80.42 75.54 7.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.3 t30 -145.58 108.23 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.0 p -131.48 138.62 49.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.4 m -98.85 132.92 43.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.1 mt -117.6 134.11 55.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -112.87 155.97 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.415 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 6.6 tp60 -150.64 107.08 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.9 p -109.36 156.11 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -145.73 146.54 31.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.472 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 8.4 tp -75.66 52.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -135.35 109.27 8.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 42.12 40.69 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.4 m120 46.02 54.96 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -94.86 118.66 32.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.42 ' C ' HG22 ' A' ' 104' ' ' VAL . 21.7 m-20 -123.14 137.48 54.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.462 ' CA ' HG22 ' A' ' 104' ' ' VAL . 62.3 mttt -126.7 172.09 10.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -140.93 171.29 14.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -160.35 117.81 2.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 85' ' ' ILE . 27.7 mt -114.17 139.26 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.501 HG23 ' CD2' ' A' ' 125' ' ' PHE . 43.1 mt -137.79 109.71 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.433 ' CD ' ' HB2' ' A' ' 67' ' ' ASN . 13.3 mt-30 -118.49 149.7 40.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.579 HD23 ' CD2' ' A' ' 63' ' ' TYR . 4.0 tt -103.3 108.08 19.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.5 mt -95.17 148.61 22.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.439 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 20.0 tt0 -131.74 115.71 16.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.17 168.33 18.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.3 t -75.77 -19.52 58.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.458 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 28.8 m-20 -91.15 43.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.2 mtt85 42.16 40.78 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.458 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 20.6 m-85 -132.02 116.3 16.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.54 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 16.0 m-85 -92.33 167.55 11.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.3 m -147.46 122.1 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.5 m -88.76 106.55 18.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.496 ' CZ2' ' HB2' ' A' ' 100' ' ' ARG . 44.5 t-105 -86.43 120.76 28.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -123.08 108.62 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.496 ' HB2' ' CZ2' ' A' ' 98' ' ' TRP . 22.8 ttt180 -116.46 128.76 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.472 ' CH2' ' HB2' ' A' ' 111' ' ' LYS . 17.6 p90 -144.14 175.04 10.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.76 -153.68 24.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -82.94 128.87 34.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.462 HG22 ' CA ' ' A' ' 81' ' ' LYS . 87.0 t -49.36 124.17 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.24 -41.13 2.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -102.04 143.82 31.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 89.7 t -43.84 -46.17 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.08 -144.38 33.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -83.93 155.74 22.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.3 p -126.59 131.03 51.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.472 ' HB2' ' CH2' ' A' ' 101' ' ' TRP . 28.1 tptt -136.89 121.99 19.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.417 HD11 ' CD1' ' A' ' 54' ' ' LEU . 15.3 tt -125.85 135.8 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -123.38 140.46 52.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -109.89 133.23 53.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -131.08 125.78 34.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.3 p -67.84 -39.78 83.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.6 mtp85 -90.72 170.34 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.54 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 21.7 tp -94.61 -49.42 5.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.402 ' C ' ' HE3' ' A' ' 123' ' ' LYS . 67.3 mt-10 -53.89 -60.07 3.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -41.52 -46.36 3.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.2 86.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -59.49 -44.53 93.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.402 ' HE3' ' C ' ' A' ' 119' ' ' GLU . 35.4 mttt -56.22 -42.35 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -48.5 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.551 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 1.6 t80 -54.28 -48.62 71.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.21 -57.82 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -39.53 -55.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.438 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.8 tppt? -52.23 -44.59 64.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 130' ' ' ARG . 9.2 t80 -68.66 -62.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.42 ' N ' ' CD1' ' A' ' 129' ' ' PHE . 37.8 ttp85 -49.2 -24.57 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -85.21 -34.15 22.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -84.0 -18.95 35.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 68.3 p -115.59 -13.74 11.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 60.35 40.32 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -154.63 145.45 22.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -72.0 135.17 46.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -55.19 -38.5 68.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.84 -41.0 79.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.59 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.1 mt-10 -89.09 36.6 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -60.35 -23.05 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -50.39 -52.01 41.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -90.7 36.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.598 ' CZ ' ' CB ' ' A' ' 152' ' ' LEU . 52.3 t80 -62.27 107.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.42 HG12 ' NE2' ' A' ' 146' ' ' HIS . 5.2 p -96.82 127.84 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 65.9 p -93.53 99.43 11.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . 0.42 ' NE2' HG12 ' A' ' 144' ' ' VAL . 70.5 m-70 -80.79 145.52 57.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.549 0.69 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 114.85 3.83 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.682 2.255 . . . . 0.0 112.373 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 115.38 -38.57 3.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -80.71 178.84 8.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.415 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 30.7 m-85 -75.03 149.94 39.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.5 p -108.01 164.7 12.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.598 ' CB ' ' CZ ' ' A' ' 143' ' ' PHE . 35.2 tp -106.78 108.69 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.47 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.88 172.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.546 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 15.3 pt-20 -121.81 14.35 10.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.546 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 7.0 p 50.44 172.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' GLN . . . . . 0.413 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 82.9 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.0 mm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.821 0.343 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 47' ' ' ARG . 40.5 mm -120.17 139.26 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.41 ' N ' HG21 ' A' ' 46' ' ' ILE . 9.5 mmm180 -113.32 122.97 49.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.419 HG11 ' CB ' ' A' ' 55' ' ' SER . 42.2 t -51.84 119.2 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -47.87 142.7 6.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.846 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.6 Cg_endo -69.71 -34.13 15.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.8 p -56.88 -39.7 74.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.5 t -66.11 137.35 95.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.619 0.723 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -50.88 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.638 2.225 . . . . 0.0 112.359 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.8 mt -45.53 -34.84 3.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.419 ' CB ' HG11 ' A' ' 48' ' ' VAL . 6.3 t -39.45 -46.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.0 t -55.74 -47.55 76.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -56.46 130.66 76.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 141.18 44.68 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.351 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.38 -40.37 2.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.0 m -56.97 106.61 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.752 0.311 . . . . 0.0 111.134 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -123.32 158.58 30.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' TYR . 94.1 t -74.06 102.65 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 76.4 t80 -36.96 124.36 0.89 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 18.4 mt-10 43.32 -146.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.06 41.58 1.45 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -83.05 70.46 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.2 t30 -146.94 100.49 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 p -121.1 141.19 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.9 m -101.59 135.57 42.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -120.71 140.71 51.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -119.25 151.75 37.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -150.1 106.4 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.3 p -115.34 155.42 27.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -148.86 148.21 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.1 tt -75.55 51.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -134.85 108.82 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 42.44 40.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 m120 48.36 54.95 9.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.46 114.45 20.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.424 ' C ' HG22 ' A' ' 104' ' ' VAL . 9.0 m-20 -130.68 129.78 43.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -128.3 178.65 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -151.6 128.27 10.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -112.63 123.85 51.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.6 mt -118.32 131.14 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.0 mt -132.81 104.3 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -114.66 157.94 22.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.6 tt -120.68 103.55 9.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 mt -91.34 163.0 14.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -144.55 117.34 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.52 170.55 13.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.6 t -63.79 -26.02 68.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.547 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 3.3 m120 -85.47 47.3 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 31.98 36.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 22.0 m-85 -117.49 118.1 31.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.528 ' CZ ' ' CD1' ' A' ' 118' ' ' LEU . 18.9 m-85 -91.94 165.04 13.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.829 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 68.6 m -150.03 120.91 7.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.64 104.51 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -86.62 116.73 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -116.33 132.18 56.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -143.04 114.53 7.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 37.3 p90 -121.95 161.04 23.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 156.34 -173.99 34.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -69.57 136.7 51.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.424 HG22 ' C ' ' A' ' 80' ' ' ASN . 92.3 t -52.91 116.14 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 116.91 -39.46 2.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -91.42 170.03 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 100.0 t -71.23 -44.5 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.94 -157.87 41.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -81.1 169.47 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.6 p -130.43 125.32 34.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -137.92 113.93 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.0 tt -116.65 136.28 54.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -125.94 125.12 42.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -98.38 139.27 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -135.08 134.5 40.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 19.8 p -80.31 -37.9 31.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.2 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -95.31 137.55 34.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.528 ' CD1' ' CZ ' ' A' ' 95' ' ' PHE . 43.3 tp -60.55 -62.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -49.31 -42.56 41.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.48 -44.44 65.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.59 -42.09 74.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -56.31 -46.21 79.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -53.35 -39.48 64.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.21 -50.05 15.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 5.3 t80 -53.12 -47.06 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -71.15 -53.15 15.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -43.15 -56.52 3.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.47 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -51.42 -45.88 62.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -62.84 -62.22 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 134' ' ' LYS . 13.9 ttt-85 -54.74 -29.93 55.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.16 -24.48 57.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.417 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 55.9 mmtt -99.84 -19.66 16.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 64.6 p -117.7 6.45 12.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 130' ' ' ARG . 23.8 mtpp 38.73 36.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -143.74 164.07 31.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -86.67 141.61 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -66.11 -36.4 83.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.17 -39.17 68.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.598 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.7 mt-10 -92.33 36.49 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -62.0 -17.5 57.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -56.8 -47.01 81.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -95.84 36.56 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.543 ' CE2' ' HB2' ' A' ' 152' ' ' LEU . 51.3 t80 -53.42 115.86 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 84.9 t -106.39 114.37 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.9 t -81.48 144.34 31.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -125.75 149.48 65.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 113.24 3.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 112.5 -38.75 3.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -77.82 178.3 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.417 ' CD2' ' HD2' ' A' ' 132' ' ' LYS . 16.1 m-85 -78.29 151.83 32.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 9.9 p -107.29 166.38 10.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.543 ' HB2' ' CE2' ' A' ' 143' ' ' PHE . 35.3 tp -109.93 108.17 18.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.468 HD11 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -113.74 169.81 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.553 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 14.0 pt-20 -118.83 12.14 12.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.553 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 8.1 p 50.36 172.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' GLN . . . . . 0.426 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 11.1 pt20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.7 mm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.815 0.34 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.2 mm -122.22 157.96 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 47' ' ' ARG . 3.0 mmm180 -136.53 129.2 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG2' HG22 ' A' ' 62' ' ' VAL . 87.2 t -55.65 115.89 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 3.3 t70 -36.87 142.09 0.37 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.3 Cg_endo -69.77 -42.95 2.95 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 p -53.65 -28.45 33.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -73.75 135.51 77.82 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -51.39 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 45.8 mt -41.79 -36.08 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.8 t -40.56 -45.05 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.8 m -59.65 -48.71 80.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -54.12 129.67 58.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 133.04 24.69 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.652 2.235 . . . . 0.0 112.406 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.24 -36.6 4.29 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.9 m -65.73 111.6 3.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.71 0.291 . . . . 0.0 111.114 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -131.08 161.01 33.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.47 HG22 ' CG2' ' A' ' 48' ' ' VAL . 59.2 t -71.65 111.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.572 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 55.6 t80 -51.73 130.37 28.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.572 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 10.3 mt-10 37.69 -143.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -107.23 42.19 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -84.65 71.11 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 11.2 p-10 -147.43 102.97 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.2 p -125.02 137.47 54.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.4 m -98.99 130.76 45.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.4 mt -117.03 141.84 47.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -119.59 159.15 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.495 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 5.2 tp60 -155.01 105.02 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.0 p -111.41 157.51 20.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -148.91 147.0 28.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.453 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 3.0 tp -75.6 51.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -136.09 109.71 8.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.2 m120 42.56 40.51 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 47.75 54.99 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -83.04 114.45 21.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -125.56 127.01 45.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -123.45 176.44 6.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -151.11 132.12 14.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -118.25 120.01 36.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.951 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.8 mt -111.79 135.35 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.511 HG21 ' CD2' ' A' ' 125' ' ' PHE . 74.9 mt -138.53 106.27 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -121.11 146.99 46.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 tt -103.76 111.97 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.7 mt -97.92 152.73 18.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.447 ' HG3' ' CE2' ' A' ' 95' ' ' PHE . 24.9 tt0 -131.07 115.61 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.47 169.38 17.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.4 m -76.15 -19.45 58.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.547 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 17.9 m-20 -91.63 45.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.435 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 15.4 mtp180 39.54 43.14 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 20.4 m-85 -134.72 119.0 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.454 ' CZ ' HD11 ' A' ' 118' ' ' LEU . 39.8 m-85 -91.59 166.2 12.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.2 m -145.9 122.0 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 49.4 m -85.44 103.1 14.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -86.43 115.66 24.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -123.31 121.26 35.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -131.6 117.85 19.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 28.7 p90 -127.27 165.11 20.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 152.86 -157.45 27.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -83.57 136.23 34.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.375 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.2 t -53.42 126.1 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 104.37 -40.39 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.34 138.43 34.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.847 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.4 t -40.09 -39.81 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.27 -151.56 45.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -82.68 154.9 24.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.935 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 65.0 p -122.94 126.22 46.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -139.58 118.07 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.6 tt -121.34 140.84 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -128.53 139.81 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -114.31 129.29 56.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -124.38 135.51 53.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.9 p -75.61 -42.93 50.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -92.01 148.92 21.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.454 HD11 ' CZ ' ' A' ' 95' ' ' PHE . 36.0 tp -72.91 -54.15 9.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -50.55 -44.06 56.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -56.4 -44.14 79.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.64 92.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.443 ' HE3' ' CD1' ' A' ' 118' ' ' LEU . 63.4 mttt -60.76 -45.42 94.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -57.52 -42.8 83.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.84 -55.78 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 1.6 t80 -51.99 -47.42 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.24 -57.8 4.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.4 OUTLIER -40.34 -54.16 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 15.2 tppt? -52.28 -52.49 52.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 130' ' ' ARG . 2.9 t80 -59.32 -59.36 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 134' ' ' LYS . 38.9 ttp85 -51.28 -32.08 23.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -77.67 -30.08 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -86.78 -21.64 26.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.44 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 32.6 p -116.59 -2.23 12.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 130' ' ' ARG . 34.6 mtpt 49.0 40.39 16.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -152.2 145.18 24.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -69.95 139.73 52.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -63.33 -36.85 85.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.29 -39.98 74.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.3 mt-10 -91.38 37.67 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -61.5 -19.87 62.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -53.99 -45.25 71.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -99.29 40.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.44 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 60.5 t80 -55.76 109.59 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 70.7 t -97.94 104.38 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.1 p -75.84 99.82 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -75.45 146.45 80.95 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.604 0.716 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 120.28 7.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.385 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 108.7 -41.41 2.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -74.03 -177.38 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.321 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 21.8 m-85 -72.62 175.73 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.3 p -130.15 163.82 25.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 51.3 tp -104.35 111.44 24.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.472 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -118.86 172.22 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.535 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 14.8 pt-20 -120.75 17.05 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.535 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 6.5 p 50.37 172.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' GLN . . . . . 0.419 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 46.7 mm-40 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 46' ' ' ILE . 31.2 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.862 0.363 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.422 HD12 ' CG ' ' A' ' 67' ' ' ASN . 47.5 mm -121.56 136.83 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.406 ' N ' HG23 ' A' ' 46' ' ' ILE . 14.4 mmm180 -112.93 130.42 56.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.462 HG13 ' CB ' ' A' ' 55' ' ' SER . 58.7 t -62.24 111.92 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' VAL . 1.2 t70 -35.89 141.62 0.32 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.1 Cg_endo -69.69 -43.24 2.84 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.737 2.291 . . . . 0.0 112.368 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.5 p -54.53 -28.45 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.1 t -74.96 132.52 77.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -52.27 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.382 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.5 mt -38.37 -33.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.462 ' CB ' HG13 ' A' ' 48' ' ' VAL . 1.3 t -43.67 -46.84 7.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -54.84 -47.97 73.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -57.34 126.57 74.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 135.94 31.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.83 -33.87 6.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.9 m -61.54 104.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 0.0 111.128 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -115.49 169.56 9.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 73.2 t -87.96 103.33 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.563 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 82.6 t80 -40.42 118.12 0.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.563 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 7.3 mt-10 50.52 -145.38 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -108.81 40.68 1.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -81.94 78.22 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 11.2 p-10 -153.8 97.17 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.1 p -124.88 136.81 54.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.3 m -95.26 136.45 35.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.7 mt -120.13 139.16 53.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -116.08 154.38 30.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -151.34 106.54 3.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.4 p -109.96 156.85 19.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.163 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -147.8 147.08 29.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.0 tt -75.48 51.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -134.23 108.28 8.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 42.09 40.88 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 m120 46.11 53.64 9.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -90.8 117.32 29.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -123.69 135.99 54.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -122.95 174.28 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -148.62 129.9 14.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.516 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 2.9 t80 -116.21 124.74 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.2 mt -117.34 137.87 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.142 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.41 HD13 ' CG ' ' A' ' 128' ' ' LYS . 63.5 mt -139.2 108.93 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -124.49 153.95 41.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 tt -112.77 116.06 29.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.5 mt -104.16 152.01 22.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.415 ' HG3' ' CZ ' ' A' ' 95' ' ' PHE . 28.5 tt0 -129.21 117.44 20.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -84.24 167.85 16.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 t -79.46 -2.42 41.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.57 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 35.9 m-20 -99.83 39.21 1.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.407 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 16.6 mtm180 45.57 32.75 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 15.5 m-85 -134.11 135.88 43.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.545 ' CE2' HD12 ' A' ' 118' ' ' LEU . 4.2 m-85 -105.35 167.46 9.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 m -144.58 120.88 10.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.38 106.75 16.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -86.33 125.27 33.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -125.11 126.53 45.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -131.0 120.67 23.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -140.92 169.37 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 143.74 -132.1 4.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -101.28 128.37 47.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 81.9 t -48.17 133.25 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 100.3 -42.3 1.99 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -96.3 175.49 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.38 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 85.5 t -74.71 -45.46 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.57 -140.48 22.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -83.8 170.09 14.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 61.0 p -134.64 122.94 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -139.19 118.35 12.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.8 tt -124.03 138.18 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -131.07 122.26 26.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -95.59 142.56 27.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.404 ' CD1' ' OD1' ' A' ' 120' ' ' ASP . 96.2 m-85 -134.23 130.19 36.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 82.2 p -67.02 -44.53 80.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -91.39 154.94 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.545 HD12 ' CE2' ' A' ' 95' ' ' PHE . 27.7 tp -78.33 -54.55 6.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -49.16 -49.22 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.404 ' OD1' ' CD1' ' A' ' 115' ' ' PHE . 7.6 t70 -48.84 -43.47 38.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.41 -45.8 75.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -53.36 -42.87 67.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -60.15 -42.89 95.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.81 -45.79 81.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.452 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 5.0 t80 -58.35 -56.05 27.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -63.44 -51.18 66.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER -45.33 -56.79 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.445 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 16.0 tppt? -55.94 -57.82 10.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -46.3 -59.56 2.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 134' ' ' LYS . 31.7 ttt180 -59.68 -32.01 70.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -71.93 -23.34 61.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -97.66 -27.63 14.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 66.4 p -111.58 7.23 20.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 130' ' ' ARG . 18.2 mtpp 40.05 35.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 3.5 m-80 -142.1 167.32 22.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -91.54 144.2 25.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -71.16 -36.32 71.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.21 -32.75 74.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.446 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 38.0 mt-10 -87.41 26.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 21.2 ptt-85 -50.11 -23.62 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -56.84 -49.75 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' HIS . . . . . 0.446 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.7 p-80 -111.81 44.49 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.446 ' CE1' ' HB3' ' A' ' 152' ' ' LEU . 31.5 t80 -54.59 105.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 87.9 t -75.24 132.2 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 80.2 p -107.55 105.27 15.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -82.36 147.85 57.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.807 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 113.8 3.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.367 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 108.65 -39.23 2.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -72.02 174.21 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.338 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.516 ' CE1' ' HB2' ' A' ' 83' ' ' TYR . 21.8 m-85 -68.2 141.26 56.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.1 p -101.6 166.25 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.446 ' HB3' ' CE1' ' A' ' 143' ' ' PHE . 42.5 tp -108.71 108.17 18.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.472 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.13 173.61 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' A' ' 155' ' ' VAL . 14.4 pt-20 -126.55 17.96 7.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 156' ' ' GLN . 1.1 p 44.54 -175.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' GLN . . . . . 0.517 ' N ' HG13 ' A' ' 155' ' ' VAL . 65.5 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.752 0.31 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.9 mm -121.64 155.68 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -138.57 120.58 15.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.458 ' CG2' HG21 ' A' ' 62' ' ' VAL . 63.6 t -47.66 118.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -46.87 143.07 4.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.844 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.6 Cg_endo -69.73 -35.94 11.81 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.9 p -55.39 -40.63 71.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 14.1 t -63.73 138.54 97.41 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.24 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.724 2.282 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.9 mt -45.25 -36.34 3.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.22 -49.15 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 m -56.83 -42.66 80.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -60.41 125.17 81.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.58 0.705 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 135.61 30.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.11 -37.15 3.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.1 m -59.57 116.04 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.747 0.308 . . . . 0.0 111.157 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -122.96 166.69 14.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.458 HG21 ' CG2' ' A' ' 48' ' ' VAL . 90.8 t -85.99 102.41 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 65.0 t80 -40.15 125.69 2.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.575 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 5.9 mt-10 41.22 -143.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.28 46.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.441 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 42.9 m-85 -89.17 80.8 6.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -163.13 108.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.9 p -132.8 142.85 49.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.8 m -99.3 134.27 42.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -118.46 145.8 44.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -128.01 149.18 50.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -151.28 128.66 11.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 p -129.12 158.67 38.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -146.55 150.23 35.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.7 tt -75.43 50.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -133.95 107.8 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 42.05 40.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.8 m120 45.61 55.0 7.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -87.83 115.48 25.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.422 ' C ' HG22 ' A' ' 104' ' ' VAL . 8.4 m-20 -127.77 132.17 49.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -125.28 178.9 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -147.64 137.13 22.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.407 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 0.6 OUTLIER -119.35 122.39 41.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 85' ' ' ILE . 91.5 mt -117.58 136.69 53.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.447 ' N ' HG22 ' A' ' 84' ' ' ILE . 81.1 mt -138.79 109.57 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -124.86 145.08 49.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 tt -108.19 113.9 27.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.1 mt -101.26 167.85 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.405 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 35.1 tt0 -150.58 119.41 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 90' ' ' ASP . 24.4 p30 -90.36 168.17 12.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.0 m -69.93 -5.35 25.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.491 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 21.7 m-20 -94.33 37.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 39.1 37.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 21.9 m-85 -131.8 123.23 27.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 28.6 m-85 -94.07 155.44 17.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.445 HG22 ' CD1' ' A' ' 112' ' ' ILE . 25.9 m -132.3 137.13 47.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.14 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.1 m -100.03 102.5 13.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -86.46 115.02 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -122.13 116.76 24.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 43.9 ttp85 -128.45 118.83 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -129.27 164.32 23.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.68 -168.38 33.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -70.43 137.07 50.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.422 HG22 ' C ' ' A' ' 80' ' ' ASN . 87.9 t -54.68 120.31 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.29 -40.2 2.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -90.34 174.87 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.9 t -74.55 -45.89 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.21 -170.01 53.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -67.32 166.77 13.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.1 p -131.39 120.58 23.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -134.87 124.14 24.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.445 ' CD1' HG22 ' A' ' 96' ' ' THR . 13.2 tt -125.73 145.33 33.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -127.63 149.39 50.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -123.77 123.57 40.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -120.17 134.22 55.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 78.0 p -78.21 -25.71 47.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -106.54 139.94 40.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 23.8 tp -63.95 -49.79 71.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -49.5 -56.86 8.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -41.54 -44.61 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.95 -46.88 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -50.71 -47.73 59.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 124' ' ' ASP . 18.3 mttt -62.5 -69.42 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 123' ' ' LYS . 9.9 t0 -35.42 -48.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.486 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 3.3 t80 -60.21 -57.55 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -62.48 -62.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER -39.6 -53.17 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.9 tppt? -55.83 -49.85 72.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -58.51 -58.59 7.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 134' ' ' LYS . 8.1 ttt85 -54.75 -31.91 59.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.05 -27.99 64.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.568 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 67.9 mmtt -94.77 -23.65 17.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 134' ' ' LYS . 66.9 p -115.49 11.55 15.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 130' ' ' ARG . 9.9 mtpm? 34.2 40.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -146.48 152.96 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -81.52 135.48 35.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -58.97 -40.21 84.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.13 90.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.6 mt-10 -91.86 39.55 1.02 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -62.3 -21.71 65.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -52.12 -45.46 64.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -99.59 41.08 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 72.4 t80 -56.78 103.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 80.0 t -93.29 105.02 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.5 t -79.19 152.88 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -126.15 152.27 73.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.557 0.694 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.62 4.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.656 2.237 . . . . 0.0 112.324 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 100.69 -32.8 6.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -71.93 -175.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 132' ' ' LYS . 29.3 m-85 -81.99 130.92 35.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.3 p -96.71 166.49 11.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 52.5 tp -107.7 111.92 24.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -117.31 171.74 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.539 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 9.6 pt-20 -121.13 16.64 11.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.539 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 7.5 p 50.41 172.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' GLN . . . . . 0.417 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 9.1 pt20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 46' ' ' ILE . 34.7 mm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.821 0.343 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.43 ' N ' HG22 ' A' ' 45' ' ' ILE . 41.4 mm -115.49 138.29 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -112.32 130.48 55.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ASP . 65.5 t -59.88 114.59 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 2.3 t70 -37.32 142.28 0.4 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.655 0.741 . . . . 0.0 110.85 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.75 -51.31 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.748 2.299 . . . . 0.0 112.323 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.6 p -52.33 -31.34 32.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.0 t -58.25 133.87 84.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -32.21 18.9 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.8 mt -85.19 24.06 1.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.974 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.4 p -85.09 -53.6 5.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 t -64.92 -38.61 91.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -53.45 122.93 34.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 130.62 19.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.284 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.54 -32.32 6.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 45.7 m -71.9 100.3 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 0.0 111.13 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -112.16 162.69 15.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.6 t -81.91 102.14 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.505 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 80.8 t80 -38.69 116.24 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.505 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 5.6 mt-10 47.42 -147.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -106.8 37.08 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.438 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 27.0 m-85 -81.58 73.85 8.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -154.0 109.57 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.9 p -132.94 139.29 47.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.2 m -95.09 134.23 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.3 mt -118.91 144.58 46.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -129.01 152.05 49.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.458 ' OE1' ' CE2' ' A' ' 150' ' ' TYR . 10.4 pt20 -153.0 128.34 9.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 p -130.49 156.34 44.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -144.76 150.96 38.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 2.6 tp -75.55 52.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -135.84 109.33 7.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 8.3 m120 42.46 40.62 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 77' ' ' ASN . 0.6 OUTLIER 47.92 55.03 9.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.429 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 3.0 t-20 -81.04 112.9 18.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 79' ' ' ASN . 4.1 m-20 -133.29 125.78 30.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -129.62 177.37 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -144.62 139.4 28.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.487 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 1.3 t80 -119.53 135.03 54.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.0 mt -126.71 133.65 68.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.9 mt -136.64 110.97 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -127.85 146.22 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.478 HD21 ' CD2' ' A' ' 63' ' ' TYR . 1.4 tt -106.89 107.95 19.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.0 mt -92.81 161.98 14.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.489 ' HG2' ' CE2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -137.31 116.07 12.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -80.74 169.49 17.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 m -73.46 -15.36 61.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.511 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 11.1 m-20 -95.97 44.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 38.86 42.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 21.1 m-85 -131.47 122.77 26.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 14.8 m-85 -92.3 161.64 14.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.479 ' CG2' ' CG1' ' A' ' 112' ' ' ILE . 84.9 m -144.06 121.94 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.139 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.4 m -84.74 102.67 13.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -87.04 105.92 17.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -105.86 133.26 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -138.05 115.76 11.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.458 ' NE1' ' HB2' ' A' ' 109' ' ' GLN . 15.2 p90 -129.51 169.24 15.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.56 -126.81 2.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -116.4 152.34 34.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.419 HG22 ' C ' ' A' ' 80' ' ' ASN . 91.2 t -67.0 115.31 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.96 25.51 7.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -153.9 170.76 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.6 t -73.21 -40.89 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.44 -171.61 43.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.458 ' HB2' ' NE1' ' A' ' 101' ' ' TRP . 42.1 mm-40 -61.89 176.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 72.3 p -142.71 127.14 17.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -144.18 120.75 11.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.479 ' CG1' ' CG2' ' A' ' 96' ' ' THR . 6.4 tt -123.74 136.42 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -124.3 130.33 52.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -104.6 118.41 36.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -112.04 125.38 54.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.8 p -64.64 -44.57 90.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.162 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.9 mmt-85 -88.27 158.59 18.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.552 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 21.5 tp -81.66 -52.42 7.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -51.99 -51.06 59.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -46.89 -43.57 18.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.77 -45.36 78.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -56.87 -46.79 81.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -53.19 -43.12 66.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.83 -49.18 49.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.445 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 5.7 t80 -53.46 -42.22 66.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -80.6 -32.48 36.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -61.43 -53.0 62.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -60.96 -48.74 80.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -59.13 -52.05 67.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 134' ' ' LYS . 15.1 ttt-85 -65.32 -33.12 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -71.12 -25.75 62.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.566 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 29.6 mmtm -97.07 -25.08 15.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.509 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 69.6 p -110.99 6.73 21.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' ARG . 20.3 mtpp 39.02 36.99 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -143.65 161.12 39.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -91.11 129.95 37.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.5 t-105 -48.86 -38.4 22.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.73 79.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 15.4 mt-10 -92.0 38.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 -64.43 -18.78 65.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -55.81 -47.16 77.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -95.81 38.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.509 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 30.7 t80 -57.55 111.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 65.5 t -92.89 117.52 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.185 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.6 p -86.32 99.82 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -79.09 149.3 73.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.81 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 108.53 2.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 109.29 -36.02 4.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -66.22 -176.09 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.775 0.321 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.566 ' CE2' ' HD2' ' A' ' 132' ' ' LYS . 13.7 m-85 -82.38 133.11 35.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 23.8 p -95.26 166.33 11.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 0.9 OUTLIER -110.76 114.37 27.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.479 HD12 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -109.65 179.71 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.552 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 14.5 pt-20 -128.25 10.99 6.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.552 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 6.7 p 50.68 172.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' GLN . . . . . 0.42 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 13.2 pt20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.7 mm . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.813 0.339 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.46 HG22 ' CG1' ' A' ' 62' ' ' VAL . 39.4 mm -117.48 134.78 59.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -121.04 130.0 53.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.7 t -56.04 115.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.1 t70 -38.15 142.11 0.48 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.658 0.742 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.72 -43.46 2.68 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.3 p -51.74 -35.2 42.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.0 t -67.05 138.84 95.1 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -51.41 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 60' ' ' THR . 95.1 mt -43.69 -35.64 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -40.51 -50.59 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.2 t -61.14 -46.96 88.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -53.03 128.7 47.96 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 132.66 23.87 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.24 -29.31 11.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 54' ' ' LEU . 97.9 m -68.16 109.31 3.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 111.127 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -122.16 170.48 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.46 ' CG1' HG22 ' A' ' 46' ' ' ILE . 91.6 t -87.15 123.83 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.572 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 66.1 t80 -64.66 124.09 21.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.572 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 7.1 mt-10 44.17 -143.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -107.86 34.62 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -82.93 81.67 8.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -160.36 107.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.5 m -139.98 161.03 38.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 70' ' ' LEU . 24.4 m -115.15 146.63 41.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.408 ' N ' HG23 ' A' ' 69' ' ' THR . 54.1 mt -123.15 135.56 54.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -118.91 151.25 38.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.424 ' HB3' ' CD2' ' A' ' 150' ' ' TYR . 1.6 pp0? -154.99 131.85 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.8 p -136.88 158.35 44.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -148.31 150.88 34.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.476 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 9.9 tp -75.64 51.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -136.26 109.84 8.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 42.18 40.55 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.5 m120 44.59 54.94 6.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -86.84 115.09 24.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -129.63 133.83 47.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -131.7 178.01 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -153.52 137.27 16.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -117.4 134.47 54.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.9 mt -124.55 132.73 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.454 HG21 ' CD2' ' A' ' 125' ' ' PHE . 84.8 mt -136.74 106.71 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -122.75 143.15 50.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 tt -102.37 111.09 23.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.8 mt -101.84 160.33 14.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.456 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 31.8 tp60 -135.83 116.9 14.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 94' ' ' PHE . 16.7 p30 -85.94 167.77 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.8 p -72.8 1.02 9.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.577 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 8.0 m-80 -99.0 34.35 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 44.69 26.56 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 15.7 m-85 -128.12 129.52 46.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.54 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 46.9 m-85 -91.5 160.87 15.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 m -138.34 122.77 18.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.157 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.0 m -85.72 104.13 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -86.79 111.1 20.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -112.04 129.01 56.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.2 ttp85 -135.47 118.34 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.2 p90 -129.55 164.05 24.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.86 -162.21 30.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -76.74 135.96 39.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.5 t -54.53 120.91 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.88 -40.17 2.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -92.5 175.26 6.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.1 t -74.34 -46.29 44.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.67 -160.73 45.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.479 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -72.5 176.14 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 78.8 p -138.86 125.11 20.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -135.79 129.85 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.3 tt -133.76 134.42 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -126.07 127.06 45.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -102.23 116.63 33.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -111.11 126.69 55.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.4 p -65.83 -43.85 87.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -89.59 152.84 21.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.54 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 31.5 tp -74.23 -53.39 9.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -50.57 -50.85 52.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.88 -49.44 10.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.26 85.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -55.1 -48.26 73.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -51.09 -42.89 60.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.11 -43.72 73.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.454 ' CD2' HG21 ' A' ' 85' ' ' ILE . 8.1 t80 -60.06 -45.97 91.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -74.25 -46.81 39.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -56.04 -54.95 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.438 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 15.8 tppt? -59.93 -54.22 48.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 130' ' ' ARG . 3.6 t80 -50.37 -60.66 2.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 134' ' ' LYS . 9.0 ttt-85 -59.82 -28.79 67.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.81 -22.15 61.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -101.2 -26.79 13.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.436 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 66.2 p -112.35 8.32 19.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 130' ' ' ARG . 22.3 mtpp 41.05 26.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 133' ' ' THR . 31.1 m-80 -132.0 146.13 51.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -77.31 133.47 38.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -56.16 -37.82 70.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.46 -42.03 65.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.8 mt-10 -90.37 35.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -59.85 -20.42 56.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -53.49 -47.74 69.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -95.95 35.26 1.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 25.7 t80 -57.97 108.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 5.8 p -90.77 126.37 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 95.4 p -95.62 100.99 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -83.38 149.62 58.49 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.528 0.68 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 120.64 7.4 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 101.19 -34.9 5.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.62 178.68 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.31 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.424 ' CD2' ' HB3' ' A' ' 72' ' ' GLN . 38.9 m-85 -80.23 144.67 32.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 22.9 p -106.12 164.55 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.3 tt -107.79 116.33 31.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.17 174.11 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.839 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.539 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 9.2 pt-20 -125.77 15.51 8.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.539 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 7.2 p 50.25 172.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' GLN . . . . . 0.42 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.0 mm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.842 0.353 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.6 mm -122.61 133.23 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.27 129.59 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.5 t -64.16 119.52 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.418 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -38.59 142.08 0.53 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.5 Cg_endo -69.81 -48.21 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.3 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.6 p -49.15 -32.57 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.0 t -70.08 138.48 87.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.64 0.734 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -50.98 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.453 ' HB3' ' CG2' ' A' ' 60' ' ' THR . 93.4 mt -43.66 -35.47 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -41.16 -49.87 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 m -61.56 -46.42 89.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -54.97 128.18 64.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 139.54 40.67 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.42 -37.41 3.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.453 ' CG2' ' HB3' ' A' ' 54' ' ' LEU . 96.0 m -59.12 106.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 111.163 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -120.8 161.94 20.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.8 t -80.52 119.8 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.571 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 78.2 t80 -57.81 122.29 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.571 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.3 mt-10 47.53 -145.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 65' ' ' ASP . 20.2 t70 -104.32 39.73 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -81.45 69.67 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 13.9 p-10 -144.99 94.76 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.7 p -125.84 142.78 51.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.8 m -106.21 134.56 49.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -120.44 146.27 46.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -123.37 157.46 33.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.431 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 5.2 tp-100 -153.08 106.97 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.2 p -111.66 158.31 19.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -150.82 145.66 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.5 tt -75.53 51.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -134.41 109.3 8.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m120 42.64 41.1 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 48.59 54.97 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -83.93 112.1 19.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -128.51 122.07 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -119.3 178.86 4.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -149.87 129.05 12.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -112.89 135.87 53.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 78.0 mt -130.45 133.35 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.0 mt -134.09 105.31 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -120.65 146.65 46.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 tt -107.64 107.93 18.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.4 ' CD1' HD12 ' A' ' 54' ' ' LEU . 24.3 mt -95.0 167.17 11.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -149.42 124.95 10.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -92.4 169.35 10.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.3 t -59.4 -31.46 69.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.569 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 35.2 m-20 -82.42 46.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 33.16 34.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.4 m-85 -114.62 118.41 33.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 12.8 m-85 -92.89 167.59 11.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.7 m -148.91 123.91 10.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.8 m -82.32 104.47 12.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -90.37 103.74 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -113.26 123.15 49.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 57.6 ttp85 -133.54 133.67 42.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -143.34 174.2 10.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.11 -160.52 27.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -75.95 131.63 39.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.6 t -50.8 126.72 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 105.79 -39.8 2.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -93.1 170.72 9.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 79.5 t -69.61 -45.97 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.19 -166.32 54.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -71.63 145.06 49.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 54.1 p -115.54 129.63 56.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -133.91 114.66 13.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.8 tt -120.71 136.08 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -127.69 132.46 49.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -103.44 116.06 31.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -110.53 118.25 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 35.8 p -61.62 -39.1 90.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -92.74 156.17 17.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.538 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 30.9 tp -78.43 -63.35 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -47.54 -41.87 22.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.66 -45.5 58.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.93 -35.86 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -60.13 -42.39 94.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -61.22 -44.13 97.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -42.47 73.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.471 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 3.8 t80 -63.25 -43.89 96.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -73.86 -48.43 31.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -52.85 -56.34 16.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -52.8 -48.39 66.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -59.08 -59.37 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 134' ' ' LYS . 18.3 ttt-85 -58.34 -30.21 66.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -73.01 -26.84 61.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.562 ' HD2' ' CD1' ' A' ' 150' ' ' TYR . 35.8 mmtt -95.07 -24.25 16.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.519 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 62.8 p -114.88 9.57 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' ARG . 18.0 mtpp 36.99 39.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.437 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 3.5 m-80 -144.74 160.07 41.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -89.2 133.94 34.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.7 t-105 -56.21 -39.67 72.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.04 -42.39 76.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.5 mt-10 -91.77 39.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -63.16 -20.74 65.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -53.26 -46.22 69.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -98.17 39.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 47.0 t80 -56.25 104.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 96.0 t -89.55 102.47 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.9 p -81.71 99.65 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -78.5 151.15 77.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.7 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 119.23 6.21 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.637 2.224 . . . . 0.0 112.35 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 109.24 -39.22 2.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.515 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -73.86 177.77 5.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.355 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.562 ' CD1' ' HD2' ' A' ' 132' ' ' LYS . 19.3 m-85 -70.72 158.11 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 15.4 p -115.98 166.49 11.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.193 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.0 OUTLIER -109.94 110.45 21.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.482 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.49 169.57 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.542 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 13.3 pt-20 -117.85 13.82 14.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.542 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 5.9 p 51.1 172.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' GLN . . . . . 0.415 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 9.6 pt20 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.804 0.335 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.4 mm -123.38 133.91 67.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -110.3 121.52 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.7 t -50.1 123.67 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -47.86 141.51 7.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.536 0.684 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.0 Cg_endo -69.77 -41.8 3.95 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.737 2.292 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.4 HG22 ' NH1' ' A' ' 100' ' ' ARG . 50.0 p -52.93 -34.84 57.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 37.4 t -71.56 137.04 83.29 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' LEU . 53.9 Cg_endo -69.78 -51.2 0.4 Allowed 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.662 2.241 . . . . 0.0 112.332 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 53' ' ' PRO . 97.0 mt -37.02 -38.6 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -41.29 -50.88 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -50.04 -44.8 51.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -62.16 128.54 91.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.98 61.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.36 -42.34 2.72 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 86.1 m -55.99 107.88 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 111.119 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -121.53 165.93 14.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.2 t -78.6 106.63 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 67.2 t80 -46.07 119.25 2.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 6.2 mt-10 51.06 -142.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -113.98 42.45 2.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 125' ' ' PHE . 42.2 m-85 -87.37 81.9 7.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -162.04 115.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.5 p -144.09 149.02 35.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.3 m -102.27 132.08 48.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.3 mt -114.99 140.0 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -115.5 148.42 39.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.459 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 48.1 tt0 -141.67 107.62 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 p -116.18 155.08 28.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -150.3 144.79 25.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.451 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 7.3 tp -75.59 51.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -136.56 110.04 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 p30 42.65 40.43 2.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 47.76 54.99 9.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.439 ' ND2' ' HE2' ' A' ' 81' ' ' LYS . 11.0 t30 -84.5 112.31 20.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -128.85 141.03 51.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.439 ' HE2' ' ND2' ' A' ' 79' ' ' ASN . 35.5 mttm -143.46 170.11 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -139.2 142.22 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -127.88 132.79 49.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.954 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 79.7 mt -124.29 135.79 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.533 HG22 ' CE2' ' A' ' 125' ' ' PHE . 65.2 mt -135.48 110.94 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -128.52 147.72 50.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.9 tt -109.27 111.13 22.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.5 mt -99.9 151.94 20.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.555 ' HB2' ' CE2' ' A' ' 95' ' ' PHE . 20.7 tt0 -125.92 139.62 53.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -109.51 168.55 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.0 p -71.71 -13.86 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.546 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 13.8 t-20 -93.63 39.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 41.5 25.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 17.1 m-85 -119.99 118.67 31.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 89' ' ' GLN . 18.9 m-85 -91.96 167.26 12.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.3 m -142.13 124.37 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.2 m -87.75 103.46 15.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -86.06 123.49 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -121.66 133.69 54.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.4 ' NH1' HG22 ' A' ' 51' ' ' THR . 31.7 ttt180 -135.66 124.33 23.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.481 ' CH2' ' HB2' ' A' ' 111' ' ' LYS . 17.9 p90 -140.59 169.25 18.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 152.9 -127.73 2.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -113.8 148.61 36.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.42 110.48 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.17 25.91 5.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -160.94 164.58 31.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.366 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 108' ' ' GLY . 0.5 OUTLIER -65.05 -40.19 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.446 ' N ' ' CG1' ' A' ' 107' ' ' VAL . . . 64.56 -155.48 47.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -77.27 174.23 10.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.9 p -147.94 135.33 20.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.481 ' HB2' ' CH2' ' A' ' 101' ' ' TRP . 0.3 OUTLIER -139.53 153.09 47.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.454 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 12.6 tt -147.45 146.05 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -135.83 128.97 31.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -102.17 125.09 48.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -123.89 134.85 53.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 67.0 p -75.26 -42.55 54.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -88.6 149.04 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.555 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 24.7 tp -76.01 -50.38 15.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -54.05 -46.59 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -50.76 -47.02 59.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.99 97.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -60.66 -39.03 86.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 26.0 mtpp -59.54 -47.2 86.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.91 -44.7 63.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.536 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 1.8 t80 -58.65 -49.3 78.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -72.17 -55.32 7.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -40.88 -53.2 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.445 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 11.8 tppt? -53.86 -52.41 60.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -56.94 -53.57 56.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.0 ttp85 -61.17 -27.0 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -81.82 -28.67 33.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.565 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 35.2 mmtm -88.27 -27.49 21.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 43.5 p -109.32 -3.01 17.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt 49.96 41.08 22.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -153.68 141.52 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -66.27 137.48 56.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -60.93 -37.74 83.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.31 -42.46 88.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.588 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.4 mt-10 -87.77 36.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.7 ptt85 -59.29 -23.2 62.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -50.47 -48.1 56.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -97.17 38.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -58.36 104.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 87.0 t -87.92 130.55 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 89.3 p -98.65 100.05 11.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -76.29 149.81 82.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.631 2.22 . . . . 0.0 112.389 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 104.99 -36.74 4.2 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -64.03 -175.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.565 ' CE2' ' HD2' ' A' ' 132' ' ' LYS . 22.3 m-85 -81.35 141.75 33.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 8.9 p -105.6 166.51 10.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 39.7 tp -106.99 106.19 16.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.471 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -115.59 170.14 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' A' ' 155' ' ' VAL . 9.8 pt-20 -123.21 20.27 9.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 154' ' ' GLU . 3.2 p 47.69 179.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' GLN . . . . . 0.453 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 65.8 mt-30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 46' ' ' ILE . 46.2 mm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.829 0.347 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.406 HD11 ' CG ' ' A' ' 67' ' ' ASN . 19.3 mm -126.25 141.99 44.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -123.47 112.78 17.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.447 ' CG2' HG23 ' A' ' 62' ' ' VAL . 98.3 t -42.99 122.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -39.76 143.78 0.55 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.572 0.701 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.74 -41.79 3.99 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.338 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 p -54.87 -36.17 64.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.5 t -63.28 136.74 96.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.625 0.726 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -51.18 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.768 2.312 . . . . 0.0 112.299 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.1 mt -43.9 -35.94 2.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.1 t -40.99 -48.41 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 t -57.63 -45.91 84.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -58.09 127.76 80.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.58 33.24 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.382 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.04 -32.13 7.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.2 m -66.5 106.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.733 0.302 . . . . 0.0 111.138 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -117.52 175.52 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.447 HG23 ' CG2' ' A' ' 48' ' ' VAL . 93.4 t -93.11 112.81 26.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.572 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 69.6 t80 -49.18 123.22 6.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.572 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 8.9 mt-10 46.39 -142.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -109.36 40.19 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -85.86 84.76 7.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.406 ' CG ' HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -155.7 108.5 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.6 m -146.6 161.04 41.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -119.34 152.48 36.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.9 mt -122.34 144.92 48.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -132.4 155.29 48.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -155.38 105.07 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.5 p -101.28 152.0 21.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -147.45 141.33 25.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.5 tp -76.06 51.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -134.75 108.54 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m120 41.79 41.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 46.2 52.21 10.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -95.77 116.05 28.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.481 ' HB2' ' CG2' ' A' ' 104' ' ' VAL . 0.6 OUTLIER -130.69 141.6 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.474 ' N ' HG23 ' A' ' 104' ' ' VAL . 40.3 mtpt -132.94 169.76 16.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -148.06 171.44 15.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -150.48 130.08 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.407 HG21 ' N ' ' A' ' 85' ' ' ILE . 31.5 mt -111.51 137.75 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.561 HG23 ' CE2' ' A' ' 125' ' ' PHE . 75.3 mt -140.65 108.88 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -129.18 153.47 47.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.415 HD22 ' CB ' ' A' ' 63' ' ' TYR . 1.7 tt -115.09 113.85 24.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.2 mt -100.88 159.55 15.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -138.06 125.71 22.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -92.9 170.55 9.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t -66.76 -30.94 71.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.561 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 6.7 m120 -84.24 47.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 92' ' ' ASN . 1.5 ptm85 36.14 34.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 22.8 m-85 -117.22 116.66 27.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 21.2 m-85 -92.73 166.63 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.6 m -148.36 123.44 10.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.3 m -82.0 102.13 10.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -88.81 110.17 20.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -113.83 140.67 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.468 ' CZ ' HG22 ' A' ' 107' ' ' VAL . 11.5 ttm-85 -148.51 119.94 7.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 31.4 p90 -131.92 179.18 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.23 -148.81 20.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -91.06 138.22 31.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.481 ' CG2' ' HB2' ' A' ' 80' ' ' ASN . 93.1 t -61.31 92.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 142.42 -23.12 2.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -120.3 153.31 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.526 ' CG1' ' N ' ' A' ' 108' ' ' GLY . 0.8 OUTLIER -43.16 -44.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.526 ' N ' ' CG1' ' A' ' 107' ' ' VAL . . . 84.34 -155.43 31.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -87.26 170.48 11.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 63.0 p -131.32 139.03 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -153.54 121.58 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.2 tt -123.11 138.95 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -129.95 122.28 28.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -93.56 131.63 38.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -124.28 129.2 50.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 24.7 p -75.03 -24.63 58.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -105.67 144.23 32.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.554 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 25.7 tp -74.66 -50.63 16.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -51.33 -57.33 9.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.69 -48.13 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.5 -47.24 86.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -57.22 -46.03 83.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -57.6 -46.94 83.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.53 -55.68 16.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.561 ' CE2' HG23 ' A' ' 85' ' ' ILE . 4.8 t80 -48.43 -43.57 34.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -79.03 -35.01 43.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.1 OUTLIER -60.43 -53.2 60.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.6 tppt? -60.52 -52.28 65.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -57.97 -59.04 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.2 ttp85 -50.99 -27.28 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -87.03 -32.75 19.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -82.47 -15.12 53.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 44.6 p -124.49 -4.17 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 49.66 42.86 23.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -155.74 141.31 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -65.75 135.72 55.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -60.07 -38.47 82.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.21 -39.8 86.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.054 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.604 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 13.5 mt-10 -89.53 36.9 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 140' ' ' ARG . 3.2 ptm85 -59.98 -24.58 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -49.67 -48.31 49.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -97.03 40.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 61.4 t80 -59.65 104.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 79.7 t -95.92 116.96 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 66.9 p -85.61 99.57 11.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -73.62 151.44 89.24 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.54 0.686 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.71 13.59 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 99.37 -38.52 3.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -72.92 -177.86 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -80.9 163.89 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.0 p -115.24 166.37 11.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 37.1 tp -107.12 108.24 19.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.44 HD12 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -110.88 175.29 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.55 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 10.4 pt-20 -126.02 14.91 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.55 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 7.8 p 50.52 172.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' GLN . . . . . 0.431 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 18.8 pt20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.0 mm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.755 0.312 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.9 mm -114.94 132.29 64.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -105.27 135.4 46.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' ASP . 49.5 t -65.56 112.4 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' VAL . 3.5 t70 -34.22 141.86 0.23 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.75 -42.41 3.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -52.61 -35.27 54.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.1 t -68.14 138.04 92.05 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -49.3 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.337 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 55' ' ' SER . 82.1 mt -43.49 -35.9 1.82 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 54' ' ' LEU . 12.9 t -37.28 -57.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.9 m -52.08 -46.5 65.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -58.17 126.66 78.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 143.07 49.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.621 2.214 . . . . 0.0 112.373 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.77 -43.21 1.99 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.1 m -59.62 101.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 0.0 111.189 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.94 170.03 8.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.6 t -82.37 102.26 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 87.4 t80 -42.91 112.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 6.1 mt-10 57.28 -145.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.24 40.01 2.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.424 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 28.5 m-85 -81.42 76.21 8.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.938 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 6.5 p-10 -151.42 112.13 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.7 p -137.21 137.9 39.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.1 m -99.05 134.81 41.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -119.71 143.79 47.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -119.85 151.26 39.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.453 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 16.2 tt0 -145.53 108.05 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 p -110.82 156.92 20.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -148.23 145.94 28.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.412 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 3.5 tp -75.49 52.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -135.18 109.01 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.6 m120 42.19 40.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 34.2 m120 45.99 55.02 7.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -94.17 118.35 31.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -124.57 136.96 54.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -125.85 174.27 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -144.39 164.86 29.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -148.11 127.79 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 85' ' ' ILE . 80.7 mt -120.3 135.35 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.187 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.534 HG21 ' CE2' ' A' ' 125' ' ' PHE . 80.3 mt -136.87 105.11 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.109 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -119.24 151.23 38.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 63' ' ' TYR . 1.8 tt -111.58 106.59 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.4 mt -96.02 151.84 19.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.486 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 40.7 tt0 -130.18 130.47 44.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -97.27 170.2 9.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.2 t -68.17 -31.4 70.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.538 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 21.5 m-80 -82.8 47.3 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.8 ptt-85 35.67 38.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.538 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 23.5 m-85 -124.55 117.55 24.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.491 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 16.7 m-85 -93.05 167.16 11.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.438 ' CG2' HD11 ' A' ' 112' ' ' ILE . 57.0 m -146.37 119.95 9.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.3 m -83.91 104.19 13.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 50.2 t-105 -89.22 109.44 20.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -106.09 136.73 45.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.1 ttp85 -140.87 124.7 17.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 16.2 p90 -144.92 172.71 12.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.42 -137.05 6.81 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -100.77 131.59 46.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.7 t -48.13 130.81 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 100.74 -44.19 1.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -90.8 176.01 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.7 t -79.21 -41.16 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.71 -149.55 43.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -79.52 162.13 25.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.9 p -134.46 119.45 18.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.58 127.22 38.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.438 HD11 ' CG2' ' A' ' 96' ' ' THR . 14.3 tt -122.6 144.72 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -131.21 119.5 21.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.427 ' CE1' HG22 ' A' ' 96' ' ' THR . 91.9 m-70 -94.8 124.47 38.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.825 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.57 ' CD1' ' OD1' ' A' ' 120' ' ' ASP . 75.8 m-85 -118.37 146.92 44.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.2 p -87.83 -36.14 17.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -98.42 166.42 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.491 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 15.3 tp -87.72 -53.91 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -53.31 -51.32 62.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.57 ' OD1' ' CD1' ' A' ' 115' ' ' PHE . 0.4 OUTLIER -43.76 -48.59 8.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.491 ' N ' ' OD1' ' A' ' 120' ' ' ASP . . . -62.95 -49.55 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -52.89 -43.21 66.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -53.6 -43.46 68.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.93 -44.83 46.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.534 ' CE2' HG21 ' A' ' 85' ' ' ILE . 7.1 t80 -56.08 -42.48 76.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -79.37 -36.51 39.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 1.2 tmmm? -62.52 -55.19 29.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.423 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 11.9 tppt? -56.11 -44.46 79.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.86 -51.84 65.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 135' ' ' ASN . 15.1 ttt-85 -65.84 -27.78 68.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -74.81 -28.06 60.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -94.76 -18.84 20.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 134' ' ' LYS . 43.0 p -120.8 10.74 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.182 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 133' ' ' THR . 47.6 mtpt 34.6 37.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' A' ' 130' ' ' ARG . 16.5 m-80 -138.95 164.99 28.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -96.44 132.18 42.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -53.96 -39.08 65.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.87 -43.25 79.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.583 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.1 mt-10 -91.97 39.53 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -63.43 -19.87 65.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.73 -50.83 67.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -92.27 36.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 32.6 t80 -58.16 118.5 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 71.5 t -99.82 130.06 49.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.3 p -98.9 103.45 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -79.15 150.92 75.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 108.78 2.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 107.38 -36.51 4.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.474 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -64.9 -179.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 20.4 m-85 -80.12 137.23 36.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 19.0 p -99.23 166.52 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.3 tt -109.04 116.53 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.479 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -120.35 172.87 6.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.466 ' O ' ' O ' ' A' ' 155' ' ' VAL . 13.3 pt-20 -124.96 22.11 8.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.467 HG11 ' N ' ' A' ' 156' ' ' GLN . 1.4 p 45.21 -176.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' GLN . . . . . 0.467 ' N ' HG11 ' A' ' 155' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.6 mm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.777 0.323 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.41 HG23 ' CG2' ' A' ' 62' ' ' VAL . 38.6 mm -128.42 138.36 54.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 mmm-85 -113.49 128.8 56.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.05 120.36 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -39.95 142.39 0.69 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.603 0.716 . . . . 0.0 110.873 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.3 Cg_endo -69.7 -33.46 16.79 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.9 p -60.06 -38.01 81.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.151 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.7 t -66.43 138.37 95.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.7 mt -43.93 -35.1 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 t -38.79 -50.67 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.3 m -58.97 -46.53 87.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -53.07 124.9 39.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 131.61 21.66 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.5 -37.69 3.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.0 m -65.15 107.83 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 111.12 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -123.84 154.58 39.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.41 ' CG2' HG23 ' A' ' 46' ' ' ILE . 84.0 t -68.82 110.84 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 74.0 t80 -49.5 122.25 6.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 7.9 mt-10 46.93 -143.65 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.66 40.13 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -83.23 78.1 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.437 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 5.1 t30 -153.94 102.11 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.4 p -124.57 148.02 48.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.5 m -108.43 134.43 51.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 150' ' ' TYR . 23.3 mt -121.83 132.27 54.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -112.29 151.12 30.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -152.24 107.47 3.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 p -117.22 157.34 26.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -141.33 159.0 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 17.4 tt -83.73 53.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -140.01 111.22 7.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.4 m120 42.89 40.48 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.0 t30 48.02 54.96 9.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.09 114.87 21.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -129.56 125.26 35.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -116.04 176.89 4.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -152.77 126.26 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -112.61 136.49 52.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.8 mt -129.35 133.58 65.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.447 HG22 ' CD2' ' A' ' 125' ' ' PHE . 71.6 mt -136.36 108.89 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -125.53 154.41 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.2 tt -113.24 109.41 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.1 mt -94.85 163.29 13.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.594 ' OE1' ' CE2' ' A' ' 95' ' ' PHE . 4.5 tp60 -138.5 118.92 13.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -89.08 167.23 13.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -64.08 -29.13 70.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.567 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 44.1 m-20 -85.64 49.28 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 31.59 37.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.3 m-85 -118.77 119.65 35.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.594 ' CE2' ' OE1' ' A' ' 89' ' ' GLN . 21.8 m-85 -91.8 161.06 15.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.432 ' CG2' ' CG1' ' A' ' 112' ' ' ILE . 97.2 m -143.19 124.86 14.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 18.9 m -87.13 101.48 13.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -87.47 115.75 25.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -120.57 118.55 30.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.5 ttp85 -121.18 125.04 46.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 15.4 p90 -142.13 171.31 14.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.91 -135.6 5.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -103.26 129.0 50.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 83.9 t -47.08 136.95 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 96.27 -43.68 2.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -95.27 168.51 10.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.889 0.376 . . . . 0.0 110.825 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 84.7 t -67.14 -44.89 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.03 -149.24 35.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -80.8 169.36 17.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 88.7 p -142.72 120.39 11.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.52 119.73 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.432 ' CG1' ' CG2' ' A' ' 96' ' ' THR . 14.4 tt -120.76 138.83 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.162 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -129.59 139.07 51.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -110.1 121.55 45.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -115.21 122.84 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.5 p -65.16 -40.26 94.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -88.78 153.53 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.566 HD12 ' CE2' ' A' ' 95' ' ' PHE . 19.9 tp -79.98 -53.49 6.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -54.04 -49.87 68.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 120' ' ' ASP . 9.9 t0 -46.56 -46.6 19.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.15 -43.58 91.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -57.71 -44.31 85.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 20.4 mtpt -55.03 -40.79 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 124' ' ' ASP . 13.8 t0 -71.15 -37.49 72.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.447 ' CD2' HG22 ' A' ' 85' ' ' ILE . 4.6 t80 -67.84 -42.99 80.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -79.58 -39.21 32.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -62.81 -56.99 12.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 13.5 tppt? -57.97 -45.26 87.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -62.54 -57.99 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 134' ' ' LYS . 19.5 ttp180 -59.92 -29.16 68.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -77.88 -30.46 50.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.418 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 36.3 mmtm -84.47 -24.79 29.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 60.0 p -113.16 -6.01 13.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 130' ' ' ARG . 28.2 mtpt 54.47 35.82 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.891 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -144.21 169.53 17.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -88.24 146.0 25.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -72.29 -38.28 68.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.39 69.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.549 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 23.8 mt-10 -88.71 28.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -56.44 -24.97 48.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -48.34 80.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' HIS . . . . . 0.549 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.7 p-80 -110.62 37.23 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 6.3 t80 -48.72 126.1 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 82.9 t -96.82 139.7 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 17.7 t -112.45 148.02 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -126.73 150.03 70.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.523 0.678 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 110.2 2.48 Favored 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.701 2.268 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 112.05 -36.68 4.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -77.87 -174.93 3.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.318 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.418 ' CD1' ' HB3' ' A' ' 70' ' ' LEU . 11.6 m-85 -76.01 161.11 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.0 p -123.28 157.7 32.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -97.52 108.37 21.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.457 HD11 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -116.54 171.92 5.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.536 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 10.5 pt-20 -119.45 15.07 12.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.536 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 6.1 p 50.39 173.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' GLN . . . . . 0.421 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 16.8 pt20 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.457 HG23 ' N ' ' A' ' 46' ' ' ILE . 19.6 mm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.787 0.327 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.457 ' N ' HG23 ' A' ' 45' ' ' ILE . 12.8 mm -129.68 137.55 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 mmt-85 -108.0 116.28 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.47 HG11 ' CB ' ' A' ' 55' ' ' SER . 71.9 t -46.37 114.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -34.83 142.67 0.24 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.723 . . . . 0.0 110.828 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.9 Cg_endo -69.78 -45.11 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.0 p -54.69 -25.3 26.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.553 ' HA ' ' CH2' ' A' ' 98' ' ' TRP . 1.2 t -75.0 132.53 76.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.703 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.41 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.7 mt -44.71 -25.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.47 ' CB ' HG11 ' A' ' 48' ' ' VAL . 39.1 p -48.33 -48.62 36.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.9 p -55.12 -45.54 75.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -55.48 124.89 57.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 131.49 21.31 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.66 2.24 . . . . 0.0 112.298 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.3 -36.61 4.29 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.9 m -60.24 97.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 111.134 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -110.78 144.03 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.456 HG22 ' CG2' ' A' ' 48' ' ' VAL . 61.4 t -61.8 102.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 57.8 t80 -35.26 131.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.57 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 16.1 mt-10 34.37 -144.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -108.76 37.95 2.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -82.55 77.29 9.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.419 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 18.5 p-10 -149.82 107.05 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.4 p -131.31 142.22 50.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.7 m -103.08 133.44 48.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 mt -118.18 145.11 45.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -123.56 154.26 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -147.46 110.13 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.3 p -111.91 157.49 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -149.91 146.44 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.415 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 2.6 tp -75.65 52.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -135.3 109.58 8.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 3.4 m120 41.99 40.67 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 77' ' ' ASN . 1.3 p-10 45.91 53.18 9.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -92.23 116.56 29.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.404 ' C ' HG23 ' A' ' 104' ' ' VAL . 47.1 m-20 -120.72 143.04 48.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -130.87 170.41 14.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -150.27 134.71 17.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.518 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 2.0 t80 -116.74 128.31 55.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.8 mt -112.87 142.91 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.549 HG21 ' CE2' ' A' ' 125' ' ' PHE . 62.8 mt -143.48 115.75 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -137.28 143.81 42.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.5 tt -105.0 112.06 25.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 36.1 mt -94.27 163.46 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -144.28 125.11 14.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -98.09 167.48 10.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 t -65.04 -23.49 67.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.566 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 11.4 m120 -86.9 46.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 31.6 36.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.1 m-85 -119.68 116.64 26.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 42.4 m-85 -91.4 162.16 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.4 m -144.72 126.57 15.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.9 m -82.14 105.85 13.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.553 ' CH2' ' HA ' ' A' ' 52' ' ' CYS . 58.3 t-105 -86.08 108.73 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -113.42 140.59 47.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 107' ' ' VAL . 19.0 ttm-85 -149.5 136.37 19.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 18.2 p90 -148.89 171.06 16.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.07 -154.65 25.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -92.45 137.32 32.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.404 HG23 ' C ' ' A' ' 80' ' ' ASN . 90.1 t -55.78 135.21 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.48 -41.58 2.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -98.33 154.1 18.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.449 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 52.6 t -48.68 -48.75 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.0 -151.93 32.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.447 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 12.7 mt-30 -90.61 178.94 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.7 p -150.31 145.03 25.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -151.74 121.48 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.3 tt -121.84 133.12 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -127.65 120.4 27.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -89.88 136.6 32.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -126.2 140.41 52.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.1 p -84.36 -24.87 29.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -105.63 148.24 27.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.532 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 28.0 tp -75.1 -55.01 6.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -49.18 -55.83 11.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -42.36 -46.34 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.98 -46.19 85.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -56.78 -44.36 81.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 19.1 mtpt -58.52 -47.74 83.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -64.03 -38.44 91.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.549 ' CE2' HG21 ' A' ' 85' ' ' ILE . 7.7 t80 -66.59 -62.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -58.98 -49.28 78.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -52.73 -54.53 32.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.41 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.0 tppt? -55.52 -49.84 71.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -56.42 -49.76 73.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 49.7 ttp85 -68.33 -29.63 68.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.03 -22.17 59.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.475 ' HD2' ' CE1' ' A' ' 150' ' ' TYR . 60.6 mmtt -102.08 -24.61 13.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.527 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 64.3 p -114.33 10.66 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 133' ' ' THR . 15.6 mtpp 35.22 39.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -145.57 158.2 43.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -88.85 131.41 35.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -52.35 -36.55 53.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.19 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.459 ' HB3' ' NE2' ' A' ' 142' ' ' HIS . 15.0 mt-10 -85.58 30.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -57.72 -11.43 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -62.99 -47.17 84.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' HIS . . . . . 0.459 ' NE2' ' HB3' ' A' ' 139' ' ' GLU . 1.5 p80 -104.06 36.86 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.527 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 55.5 t80 -45.83 93.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 142' ' ' HIS . 56.9 t -80.1 102.62 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.0 p -83.69 116.42 22.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -89.26 150.28 44.56 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.622 0.725 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 114.79 3.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.746 2.297 . . . . 0.0 112.365 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 114.51 -39.28 2.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -74.89 -175.8 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.518 ' CE2' ' HB2' ' A' ' 83' ' ' TYR . 27.6 m-85 -74.51 162.67 28.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.3 p -120.69 161.72 20.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.094 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 38.3 tp -102.12 110.27 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.479 HD12 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -117.26 169.3 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.82 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 155' ' ' VAL . 14.5 pt-20 -122.66 19.49 10.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 156' ' ' GLN . 1.5 p 45.09 -175.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' GLN . . . . . 0.475 ' N ' HG12 ' A' ' 155' ' ' VAL . 76.0 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.7 mm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.794 0.331 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.457 HD13 ' ND2' ' A' ' 67' ' ' ASN . 13.6 mm -128.74 138.04 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.53 111.62 18.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.447 HG21 ' CG2' ' A' ' 62' ' ' VAL . 88.9 t -39.18 126.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.9 t70 -46.04 142.42 3.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.9 Cg_endo -69.77 -34.93 13.57 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.402 HG23 ' NH1' ' A' ' 100' ' ' ARG . 38.8 p -57.27 -35.99 70.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.8 t -66.86 139.42 95.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.22 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.625 2.217 . . . . 0.0 112.36 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.9 mt -46.6 -33.97 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.1 t -39.13 -45.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 t -58.48 -46.95 85.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -54.53 126.08 54.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.756 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.36 42.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.48 -38.84 2.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.7 m -56.82 113.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.699 0.285 . . . . 0.0 111.13 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -119.31 166.59 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.447 ' CG2' HG21 ' A' ' 48' ' ' VAL . 70.3 t -84.51 102.04 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.54 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 71.4 t80 -34.47 127.05 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.54 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 13.3 mt-10 35.24 -147.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -97.8 31.57 2.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.502 ' CD2' HD11 ' A' ' 87' ' ' LEU . 4.6 m-85 -73.29 82.66 1.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.461 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.1 OUTLIER -159.92 88.91 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.3 p -115.73 142.2 47.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.1 m -101.61 137.38 40.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.0 mt -124.16 130.72 53.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -111.14 152.08 27.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -149.32 105.24 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.403 HG21 ' CG ' ' A' ' 80' ' ' ASN . 13.0 p -107.08 157.94 17.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -146.95 145.93 29.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.6 tp -75.5 52.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -135.57 109.64 8.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 42.07 40.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.3 m120 46.16 54.92 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -93.38 116.66 29.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.403 ' CG ' HG21 ' A' ' 73' ' ' THR . 36.4 m-20 -123.5 132.48 53.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -117.96 174.02 6.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -150.14 133.11 16.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 150' ' ' TYR . 0.5 OUTLIER -119.78 119.47 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.6 mt -111.58 131.06 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.9 mt -130.73 105.3 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -122.15 146.51 47.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.502 HD11 ' CD2' ' A' ' 66' ' ' TYR . 2.0 tt -106.23 116.73 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.3 mt -101.68 163.52 12.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.546 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 22.3 tt0 -148.29 125.0 11.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 94' ' ' PHE . 4.4 p30 -94.5 170.39 9.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 m -74.56 -3.83 33.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.545 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 3.2 m120 -95.49 37.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 mtp-105 40.97 34.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.545 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 20.4 m-85 -131.01 121.9 25.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.556 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 26.2 m-85 -93.57 161.96 14.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.408 HG21 ' CD1' ' A' ' 112' ' ' ILE . 89.0 m -144.27 118.76 9.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.168 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.5 m -84.65 105.13 15.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -86.99 126.71 34.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -122.82 124.93 44.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.402 ' NH1' HG23 ' A' ' 51' ' ' THR . 27.5 ttt180 -132.3 108.96 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.453 ' NE1' ' HB2' ' A' ' 109' ' ' GLN . 26.7 p90 -123.1 161.97 23.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.28 -167.58 31.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -73.88 136.53 43.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.5 t -53.0 117.58 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 115.93 -39.38 2.75 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -92.16 173.61 7.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.7 t -75.24 -42.7 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.3 -165.77 50.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.453 ' HB2' ' NE1' ' A' ' 101' ' ' TRP . 24.1 mt-30 -70.8 158.71 35.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.0 p -120.93 119.05 31.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -135.71 122.32 20.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.408 ' CD1' HG21 ' A' ' 96' ' ' THR . 6.8 tt -124.28 150.34 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -139.39 132.62 29.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -112.37 122.76 48.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -115.27 136.59 52.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 29.9 p -76.85 -34.43 57.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -102.62 125.09 49.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.556 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 22.4 tp -47.77 -54.91 10.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -46.64 -62.16 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -40.83 -42.99 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.48 -44.11 92.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -58.47 -42.14 86.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 21.0 mtpp -55.9 -49.76 72.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -48.47 80.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.447 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 5.4 t80 -58.46 -61.14 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.31 -44.09 88.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -54.6 -54.9 35.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -56.97 -54.07 50.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -52.92 -57.09 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 134' ' ' LYS . 11.8 ttt-85 -62.81 -31.24 72.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -73.42 -25.32 60.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -97.19 -17.85 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.56 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 43.5 p -124.53 13.19 8.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 130' ' ' ARG . 37.5 mtpt 34.14 36.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 133' ' ' THR . 41.7 m-80 -137.41 163.84 30.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -96.68 130.9 43.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -51.74 -41.85 61.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.62 83.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.547 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 14.5 mt-10 -97.08 35.78 1.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.1 ptt85 -61.43 -16.78 50.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -59.47 -51.02 71.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -91.42 34.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 7.6 t80 -56.84 118.23 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 2.6 p -98.88 120.53 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.3 p -89.92 101.01 13.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -82.57 149.84 61.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.552 0.691 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 123.57 10.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 103.1 -43.06 1.74 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.409 ' NZ ' ' HD2' ' A' ' 134' ' ' LYS . 2.9 mmmm -72.44 -174.9 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 83' ' ' TYR . 16.5 m-85 -73.2 176.09 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.2 p -135.76 157.07 47.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -95.58 114.03 25.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.445 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -125.38 174.19 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 155' ' ' VAL . 11.2 pt-20 -123.62 22.97 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.471 HG11 ' N ' ' A' ' 156' ' ' GLN . 1.4 p 44.85 -175.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' GLN . . . . . 0.471 ' N ' HG11 ' A' ' 155' ' ' VAL . 56.8 mt-30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.4 mm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.82 0.343 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.9 mm -116.74 157.1 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.75 118.0 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 63.5 t -49.72 112.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -38.17 136.8 0.8 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.571 0.701 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -23.99 29.89 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.254 . . . . 0.0 112.35 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.3 p -69.94 -29.28 66.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.66 132.74 92.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.14 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.71 2.274 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.19 -10.76 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.5 m -61.59 -47.08 87.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.3 t -53.08 -42.29 65.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -57.95 130.86 83.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.594 0.712 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 130.61 19.73 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.57 -36.85 4.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.1 m -59.71 104.63 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 0.0 111.153 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -120.76 177.42 5.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.1 t -91.13 116.62 32.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 49.0 t80 -55.95 114.5 1.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.564 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 9.8 mt-10 54.84 -142.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -107.28 38.01 2.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -79.47 77.37 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -154.85 104.24 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.5 p -128.67 134.35 48.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.9 m -96.24 132.79 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.9 mt -117.85 142.94 46.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -119.07 157.08 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -155.39 110.42 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -124.14 152.92 42.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -141.19 159.18 42.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.491 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 15.4 tt -82.49 53.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.57 111.69 7.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 m120 42.87 40.51 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 46.98 53.86 9.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -77.26 113.46 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -122.9 120.84 34.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -118.39 179.14 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -157.91 131.43 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.553 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 1.7 t80 -118.4 123.17 44.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 79.5 mt -114.13 140.64 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.472 HG23 ' CD2' ' A' ' 125' ' ' PHE . 81.0 mt -142.67 109.0 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -124.38 156.7 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.541 HD23 ' CD2' ' A' ' 63' ' ' TYR . 1.9 tt -114.46 107.18 15.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 23.2 mt -93.11 154.24 18.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -132.12 117.88 18.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -85.58 170.08 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 m -65.3 -30.54 71.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.559 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 31.5 m-80 -83.4 46.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 92' ' ' ASN . 9.9 ptm180 35.04 34.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.0 m-85 -115.0 118.1 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 6.7 m-85 -90.82 156.61 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.9 m -143.95 118.54 9.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.94 105.85 14.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 27.3 t-105 -85.98 124.05 32.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -120.55 140.55 51.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -148.28 111.71 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 33.7 p90 -130.44 165.27 22.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.33 -138.24 6.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -91.39 128.74 37.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 64.8 t -49.96 124.27 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.47 -42.82 1.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -93.8 170.91 9.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.1 t -69.17 -39.19 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.03 -156.67 53.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.551 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -59.67 174.18 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.8 p -144.12 120.36 10.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.52 132.63 23.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.6 tt -131.63 137.78 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.486 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 17.7 m-80 -123.54 120.65 33.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -102.01 116.87 33.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 113' ' ' ASN . 80.1 m-85 -109.44 128.59 55.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 16.8 p -69.66 -44.4 70.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -90.75 149.78 21.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.526 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 36.5 tp -68.18 -55.49 12.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -51.62 -46.96 63.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.01 -43.91 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.62 -47.95 73.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -54.81 -42.79 72.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -56.53 -44.7 81.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -67.45 -48.88 65.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.472 ' CD2' HG23 ' A' ' 85' ' ' ILE . 5.0 t80 -57.59 -54.67 44.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.82 -50.73 71.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 2.4 tmmm? -48.07 -57.32 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.459 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -53.2 -56.04 19.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.961 179.807 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -50.61 -59.63 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 134' ' ' LYS . 37.9 ttt180 -58.81 -31.97 68.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -71.71 -28.99 64.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -95.56 -20.17 19.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.493 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 46.8 p -117.02 9.68 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 130' ' ' ARG . 37.1 mtpt 35.28 38.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 144' ' ' VAL . 3.4 m-80 -143.61 161.55 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -84.1 139.05 32.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -66.91 -33.99 76.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.16 -43.64 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.534 ' HB2' ' CE1' ' A' ' 142' ' ' HIS . 9.3 mt-10 -90.28 35.69 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -55.96 -12.89 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.8 -42.45 99.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -102.08 39.18 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.493 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 60.9 t80 -49.56 92.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.474 ' O ' ' ND2' ' A' ' 135' ' ' ASN . 46.8 t -84.61 107.26 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 t -86.3 150.27 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -126.53 152.15 73.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.587 0.708 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 112.49 3.09 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.306 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 116.4 -31.23 6.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -85.17 -176.29 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.327 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.553 ' CE2' ' HB2' ' A' ' 83' ' ' TYR . 20.2 m-85 -79.07 160.12 27.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.3 p -117.82 166.49 12.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 35.8 tp -106.35 113.47 27.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.461 HD11 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -119.43 173.87 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 155' ' ' VAL . 12.8 pt-20 -126.41 18.89 7.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 156' ' ' GLN . 1.5 p 44.9 -174.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' GLN . . . . . 0.474 ' N ' HG13 ' A' ' 155' ' ' VAL . 20.9 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.0 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.79 0.329 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 47' ' ' ARG . 28.9 mm -118.65 144.78 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.422 ' N ' HG22 ' A' ' 46' ' ' ILE . 26.1 mmt85 -130.74 112.49 13.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.1 t -43.01 116.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.1 t70 -40.99 142.64 0.82 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.583 0.706 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.4 Cg_endo -69.79 -44.86 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.5 p -55.01 -28.93 55.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.5 t -68.06 135.94 91.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.728 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.9 mt -42.52 -36.94 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 p -41.29 -45.83 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.4 m -55.77 -47.1 77.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -58.36 127.1 80.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.53 28.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.75 -30.09 11.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 92.4 m -61.98 110.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 111.093 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -126.6 152.78 46.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.1 t -69.0 113.99 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 49.8 t80 -53.04 112.78 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 8.5 mt-10 58.81 -141.39 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -109.17 43.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -88.31 80.99 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -162.29 121.55 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.2 m -161.25 156.07 23.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.6 m -106.11 144.77 32.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.9 mt -121.86 142.11 50.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -124.73 144.42 50.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.461 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 6.2 tp60 -146.33 113.62 6.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.6 p -117.32 157.33 26.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -149.1 148.1 29.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.9 tt -75.56 51.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.138 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -134.05 108.92 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 42.4 41.1 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 48.82 54.98 9.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.429 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 4.9 t-20 -82.64 112.41 19.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 79' ' ' ASN . 2.6 m-20 -131.64 123.88 28.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -132.77 172.06 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -139.6 151.63 46.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -133.59 129.94 37.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.5 mt -115.57 140.53 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.565 HG21 ' CD2' ' A' ' 125' ' ' PHE . 31.1 mt -142.47 109.42 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -130.14 145.31 51.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.513 HD23 ' CD2' ' A' ' 63' ' ' TYR . 1.7 tt -105.31 115.66 30.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 23.9 mt -106.07 161.61 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.501 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 3.5 tm0? -144.9 129.13 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -96.03 171.35 8.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 t -83.79 28.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -122.87 23.57 9.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 59.61 25.0 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -127.24 131.81 50.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CE2' HD11 ' A' ' 118' ' ' LEU . 53.1 m-85 -101.12 154.16 18.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.7 m -134.08 127.49 32.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.14 111.28 21.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -89.69 119.67 30.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -122.13 149.39 43.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 107' ' ' VAL . 14.6 ttm-85 -154.88 139.72 17.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 33.9 p90 -148.78 176.43 10.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.15 -166.57 27.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -76.64 137.65 39.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.918 0.389 . . . . 0.0 110.825 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.421 HG21 ' C ' ' A' ' 80' ' ' ASN . 71.5 t -56.22 124.64 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.03 -42.32 1.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -94.54 168.33 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.442 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 22.6 t -67.9 -47.2 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.57 -150.36 36.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.427 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 9.2 mm100 -87.55 -176.22 5.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 79.7 p -155.42 144.52 20.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -150.56 145.29 25.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.4 tt -137.42 137.16 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.138 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -122.73 130.88 53.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -103.32 132.97 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -125.13 141.63 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 28.6 p -78.69 -40.25 34.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -96.57 148.0 23.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 95' ' ' PHE . 15.6 tp -70.91 -52.29 20.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -51.18 -52.14 47.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -45.33 -43.95 11.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.49 -48.62 71.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -54.65 -43.94 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -55.67 -50.19 70.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.12 -44.67 96.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.565 ' CD2' HG21 ' A' ' 85' ' ' ILE . 3.9 t80 -59.92 -58.82 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -62.33 -39.41 92.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -56.26 -54.71 42.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.468 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 11.7 tppt? -58.22 -53.87 53.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -57.3 -64.8 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -52.51 -16.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 127' ' ' LYS . 7.7 mm-40 -91.02 -26.86 18.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.497 ' HD2' ' CD1' ' A' ' 150' ' ' TYR . 41.2 mmtt -95.73 -19.77 19.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.463 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 44.9 p -115.64 -6.95 12.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt 51.3 39.35 23.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -150.14 141.42 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -63.25 139.01 58.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -64.87 -33.81 76.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.25 -38.08 68.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.598 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.8 mt-10 -92.11 35.23 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.4 ptt85 -59.28 -20.93 58.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -53.2 -45.95 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -98.78 40.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.463 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 60.2 t80 -57.36 111.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.467 ' O ' ' CD2' ' A' ' 146' ' ' HIS . 89.9 t -98.28 109.9 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 84.5 p -79.28 99.46 7.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 144' ' ' VAL . 8.8 m-70 -81.89 142.66 48.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.584 0.707 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.23 4.0 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.242 . . . . 0.0 112.367 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 119.44 -39.03 2.62 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -83.04 -179.25 7.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.497 ' CD1' ' HD2' ' A' ' 132' ' ' LYS . 30.2 m-85 -72.97 160.47 32.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 17.4 p -117.04 160.69 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.171 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 35.0 tp -103.51 107.26 18.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.438 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -110.43 168.67 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.833 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.55 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 9.3 pt-20 -115.98 12.35 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.55 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 7.6 p 50.49 172.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' GLN . . . . . 0.429 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 25.1 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.3 p -174.28 -179.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.873 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m 62.42 143.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.89 160.94 10.92 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -177.48 140.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 110.827 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 t 53.08 100.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.48 -106.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 52.51 173.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.313 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -109.73 111.01 22.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -65.23 117.88 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.438 ' HD3' ' N ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -84.15 148.84 26.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.438 ' N ' ' HD3' ' A' ' 44' ' ' ARG . 41.3 mm -118.35 140.53 41.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.44 HG21 ' CG1' ' A' ' 62' ' ' VAL . 41.2 mm -118.99 147.69 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' N ' HG22 ' A' ' 46' ' ' ILE . 17.1 mmm180 -125.71 119.65 28.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.1 t -48.79 122.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.415 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 4.1 t70 -40.61 141.4 0.91 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.5 Cg_endo -69.75 -47.79 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.1 p -52.38 -26.72 13.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.5 t -73.59 138.92 77.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.28 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.5 mt -46.67 -34.6 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.2 p -40.68 -48.28 2.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 t -62.55 -43.1 99.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -55.89 129.3 71.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.631 0.729 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.22 32.47 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.58 -32.24 7.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 98.0 m -63.65 109.61 1.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 0.0 111.155 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -123.04 166.84 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.44 ' CG1' HG21 ' A' ' 46' ' ' ILE . 80.5 t -83.53 106.25 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 82.9 t80 -44.51 119.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.575 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 15.3 mt-10 50.64 -144.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.23 30.61 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.559 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 30.7 m-85 -75.02 74.73 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.408 ' ND2' ' CD1' ' A' ' 46' ' ' ILE . 2.7 p30 -146.02 103.98 3.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.0 p -133.23 136.34 45.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.41 HG21 ' N ' ' A' ' 70' ' ' LEU . 92.0 m -100.98 136.04 41.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.41 ' N ' HG21 ' A' ' 69' ' ' THR . 23.3 mt -119.78 142.14 48.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -118.75 160.19 22.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -153.43 107.82 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -110.31 150.27 28.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -146.24 142.33 28.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 10.0 tt -75.73 51.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -133.65 107.78 8.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 41.86 40.94 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 46.73 54.55 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -98.37 119.49 37.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.405 ' HB2' ' CG2' ' A' ' 104' ' ' VAL . 0.8 OUTLIER -131.19 145.74 52.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.429 ' N ' HG21 ' A' ' 104' ' ' VAL . 30.1 mttm -132.35 158.13 42.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -131.33 135.04 46.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -118.44 125.07 49.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 79.9 mt -119.27 133.16 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.456 HG23 ' CD2' ' A' ' 125' ' ' PHE . 58.4 mt -133.15 102.94 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -120.36 147.79 44.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.503 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.3 tt -107.3 115.4 30.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.0 mt -103.06 163.42 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -147.27 125.9 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -95.09 168.9 10.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t -72.4 -1.47 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.476 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 3.3 m120 -99.89 37.14 1.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 40.39 39.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 21.3 m-85 -133.15 123.07 24.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CE2' HD11 ' A' ' 118' ' ' LEU . 40.1 m-85 -91.75 160.34 15.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.8 m -142.29 122.09 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 34.1 m -85.63 106.31 16.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -86.54 113.26 22.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -118.75 119.12 33.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -126.25 133.07 51.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.4 p90 -141.38 172.79 12.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.5 -137.74 5.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -110.47 128.19 55.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.429 HG21 ' N ' ' A' ' 81' ' ' LYS . 45.0 t -49.55 115.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.47 -34.97 4.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -103.13 174.17 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 66.3 t -69.09 -45.82 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.23 -161.68 53.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -79.64 -176.02 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.5 p -155.34 121.97 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -127.73 140.62 51.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 9.1 tt -135.55 140.62 44.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -129.32 135.47 48.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -107.07 126.93 53.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -120.66 132.1 54.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.2 p -73.69 -39.84 64.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -93.6 146.94 23.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.555 HD11 ' CE2' ' A' ' 95' ' ' PHE . 34.1 tp -69.93 -61.9 1.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -45.67 -49.7 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -45.31 -49.31 12.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.67 93.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -56.69 -47.78 79.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -51.97 -39.14 58.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.41 -40.82 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 66' ' ' TYR . 5.3 t80 -62.82 -46.91 85.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -74.06 -49.95 21.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 127' ' ' LYS . 0.2 OUTLIER -50.68 -55.79 14.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.405 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 13.7 tppt? -57.86 -57.4 12.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -47.36 -58.18 4.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 134' ' ' LYS . 11.1 ttt85 -60.19 -30.78 69.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.25 -22.89 61.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -99.88 -24.69 14.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.444 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 70.6 p -111.67 4.44 18.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 130' ' ' ARG . 15.2 mtpp 42.19 33.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 5.6 m-80 -140.31 167.87 21.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -95.41 136.32 35.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -59.12 -36.55 75.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.74 -42.13 74.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.574 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 13.9 mt-10 -91.61 35.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -60.46 -16.1 33.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.5 -44.76 89.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -98.77 35.85 1.77 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 41.5 t80 -54.96 107.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 99.6 t -90.06 120.72 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.4 p -89.34 110.18 21.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -89.9 148.33 39.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 111.66 2.88 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 109.37 -36.54 4.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -68.66 -177.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -82.59 141.83 32.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 19.3 p -100.21 166.04 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.2 tt -110.4 114.94 28.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.471 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -116.24 169.98 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.546 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 10.3 pt-20 -119.13 14.78 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.546 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 7.9 p 50.43 172.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.42 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 34.2 mt-30 -128.66 126.78 40.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.067 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 36' ' ' SER . 40.1 t -158.03 140.57 14.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 110.851 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 35' ' ' SER . 1.4 m 77.99 -51.47 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.77 -154.03 25.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t 49.04 94.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.797 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -66.37 90.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -133.1 -71.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.47 132.17 47.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.733 0.301 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -77.18 119.78 21.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -95.81 125.08 40.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -83.7 168.75 15.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.1 mm -138.51 151.2 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.469 HG21 ' CG1' ' A' ' 62' ' ' VAL . 46.0 mm -122.71 138.34 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.422 ' N ' HG22 ' A' ' 46' ' ' ILE . 26.8 mmm-85 -112.59 121.39 44.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ASP . 67.0 t -52.14 110.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 2.4 t70 -35.28 142.03 0.27 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.0 Cg_endo -69.76 -41.07 4.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.405 HG23 ' NE ' ' A' ' 100' ' ' ARG . 37.0 p -51.26 -27.53 9.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.3 t -78.45 136.83 59.82 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.604 0.716 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -47.61 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.2 mt -45.23 -36.38 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -39.83 -47.17 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.4 t -62.03 -44.02 97.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -57.33 127.96 77.81 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.98 20.21 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.219 . . . . 0.0 112.36 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.55 -36.54 4.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 93.3 m -64.12 109.61 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 111.164 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -126.51 154.1 44.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.469 ' CG1' HG21 ' A' ' 46' ' ' ILE . 90.8 t -66.97 105.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 59.4 t80 -47.87 115.47 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.558 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 13.1 mt-10 55.02 -146.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.1 34.22 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.4 ' HD1' ' CE1' ' A' ' 125' ' ' PHE . 23.3 m-85 -77.9 79.39 4.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.2 t30 -152.49 101.1 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.9 p -125.19 141.92 51.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.7 m -102.19 133.21 47.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.7 mt -115.86 146.04 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -130.67 148.33 52.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.545 ' OE1' ' CZ ' ' A' ' 150' ' ' TYR . 13.2 pt20 -150.59 124.52 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.5 p -124.85 155.49 39.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -144.84 148.9 34.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.0 tt -75.53 50.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.85 108.61 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.3 p30 42.42 40.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 30.9 m120 48.08 54.98 9.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -81.51 112.38 18.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -132.66 127.32 34.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -129.92 178.85 6.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -145.32 135.58 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -119.63 123.7 44.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 85' ' ' ILE . 94.6 mt -117.42 138.27 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.461 HG22 ' CD2' ' A' ' 125' ' ' PHE . 50.1 mt -137.42 110.5 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -126.82 146.25 50.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.53 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.4 tt -104.75 107.55 18.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.404 ' CD2' HG23 ' A' ' 62' ' ' VAL . 19.3 mt -94.12 151.69 19.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.451 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -118.72 143.38 46.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.48 164.85 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 t -66.74 -21.4 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.423 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 2.4 m-80 -85.05 45.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' ASN . 8.0 ptm180 36.6 35.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.426 ' CD1' ' HA ' ' A' ' 116' ' ' THR . 17.6 m-85 -121.71 -175.48 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CZ ' HD11 ' A' ' 118' ' ' LEU . 58.8 m-85 -148.93 164.65 33.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.6 m -142.83 123.28 13.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.4 m -83.97 103.99 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 -89.75 110.62 21.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -113.64 117.75 32.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.405 ' NE ' HG23 ' A' ' 51' ' ' THR . 36.8 ttp85 -123.16 111.96 17.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.526 ' CZ3' ' HB2' ' A' ' 111' ' ' LYS . 27.4 p90 -121.6 163.91 18.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.07 -171.99 33.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.437 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -72.01 139.87 48.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.0 t -55.9 115.04 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 116.58 -39.06 2.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.55 170.19 10.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.0 t -69.03 -46.97 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.33 -167.72 43.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -70.53 176.54 4.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.6 p -136.17 118.43 15.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 101' ' ' TRP . 9.5 tptp -129.95 134.6 47.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 14.0 tt -141.83 134.38 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -128.56 135.34 49.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -106.17 121.11 43.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -115.76 134.44 55.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.426 ' HA ' ' CD1' ' A' ' 94' ' ' PHE . 54.5 p -81.13 -37.87 28.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 36.6 mtt-85 -91.88 113.6 25.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.566 HD11 ' CZ ' ' A' ' 95' ' ' PHE . 18.3 tp -43.55 -53.23 5.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -49.25 -55.61 12.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.42 -48.23 5.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.02 -48.52 81.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -55.67 -47.74 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -55.56 -44.01 76.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -66.89 -36.57 82.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.461 ' CD2' HG22 ' A' ' 85' ' ' ILE . 6.4 t80 -67.41 -46.47 73.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -74.04 -38.61 63.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.28 -56.94 15.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -56.24 -49.93 72.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -56.4 -56.59 19.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 134' ' ' LYS . 13.9 ttt85 -60.93 -30.9 70.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.04 -24.8 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.569 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 23.6 mmtp -97.4 -26.83 14.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.457 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 72.4 p -112.37 10.55 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 130' ' ' ARG . 31.2 mtpt 35.04 39.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -143.74 166.7 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -94.0 138.92 31.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -61.62 -35.43 77.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.4 -31.79 71.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.57 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 31.6 mt-10 -86.29 24.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -51.73 -25.48 7.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -56.64 -50.29 72.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.4 p-80 -111.06 46.36 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 24.7 t80 -56.52 115.47 2.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 92.2 t -92.42 143.15 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.9 t -116.66 150.97 37.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -132.32 151.8 78.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.552 0.692 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 124.54 11.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 101.87 -40.19 2.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -76.82 -175.5 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.569 ' CD2' ' HD2' ' A' ' 132' ' ' LYS . 24.8 m-85 -80.37 157.16 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.5 p -117.93 166.6 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 41.8 tp -106.7 111.88 24.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.474 HD12 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -117.61 175.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.537 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 13.9 pt-20 -124.47 17.98 8.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.537 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 6.5 p 50.45 172.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.423 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 18.7 pt20 -131.55 126.42 34.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -149.49 -56.27 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.1 m 57.31 168.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.36 126.51 3.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.2 p -156.54 171.16 20.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -150.54 162.27 40.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.55 -142.88 12.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.27 41.47 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -69.63 135.29 49.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.42 151.3 24.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -55.84 167.71 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.1 mm -139.62 141.4 34.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.9 mm -114.91 159.61 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -141.72 116.95 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.465 ' CG2' HG22 ' A' ' 62' ' ' VAL . 94.8 t -43.58 107.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -34.61 142.51 0.23 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 110.878 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.4 Cg_endo -69.78 -36.22 11.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.331 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 p -55.76 -34.87 65.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.532 ' HA ' ' CH2' ' A' ' 98' ' ' TRP . 9.3 t -67.68 138.08 93.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.63 0.728 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.381 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.1 mt -46.54 -34.84 5.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.5 p -40.16 -44.72 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.3 t -59.89 -44.81 94.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.821 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -58.03 130.04 82.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.06 41.94 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.7 -39.85 2.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.5 m -57.98 104.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.716 0.293 . . . . 0.0 111.146 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -117.89 167.63 11.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.465 HG22 ' CG2' ' A' ' 48' ' ' VAL . 91.2 t -84.2 102.27 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 67.9 t80 -40.91 125.05 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 13.5 mt-10 41.4 -146.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -107.47 39.86 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.539 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 43.5 m-85 -84.59 78.89 9.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -157.32 106.54 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.3 p -133.2 143.16 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.5 m -100.98 135.78 41.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.0 mt -119.95 143.61 47.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -122.32 150.99 41.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -146.44 107.43 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.8 p -110.01 156.91 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -148.51 146.3 28.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.0 tt -75.71 52.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -134.2 108.58 8.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 41.95 40.77 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 47.43 54.78 9.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -94.75 114.88 26.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.421 ' C ' HG23 ' A' ' 104' ' ' VAL . 11.8 m-20 -123.08 141.31 52.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.435 ' N ' HG23 ' A' ' 104' ' ' VAL . 18.3 mtpp -136.13 167.37 21.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -146.12 150.54 36.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -125.05 136.61 53.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.1 mt -120.05 140.35 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.455 HD11 ' CG ' ' A' ' 128' ' ' LYS . 55.5 mt -143.07 106.86 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -127.98 141.91 51.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 tt -103.95 109.55 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.0 mt -94.57 155.02 17.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.46 ' HG3' ' CE2' ' A' ' 95' ' ' PHE . 56.1 tt0 -127.85 131.55 49.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -100.14 170.73 8.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 66.5 m -71.63 -31.01 66.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.563 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 44.9 m-20 -85.49 49.07 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' ASN . 12.6 ptm180 34.59 35.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 22.4 m-85 -118.13 117.53 29.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.46 ' CE2' ' HG3' ' A' ' 89' ' ' GLN . 74.2 m-85 -94.11 159.67 15.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.411 ' CG2' ' O ' ' A' ' 113' ' ' ASN . 47.5 m -140.63 125.78 18.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 113' ' ' ASN . 8.7 m -82.26 102.57 11.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.532 ' CH2' ' HA ' ' A' ' 52' ' ' CYS . 39.3 t-105 -87.44 115.54 24.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -120.41 141.75 49.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.455 ' NH1' ' O ' ' A' ' 107' ' ' VAL . 15.2 ttm-85 -146.8 135.61 22.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 21.6 p90 -148.35 179.17 7.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.46 -141.26 9.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -100.17 137.75 38.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 81' ' ' LYS . 99.0 t -59.76 112.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.67 -30.68 5.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -112.15 150.11 31.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.557 ' CG1' ' N ' ' A' ' 108' ' ' GLY . 1.4 p -41.78 -47.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.557 ' N ' ' CG1' ' A' ' 107' ' ' VAL . . . 82.39 -150.87 29.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.446 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.422 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 9.9 mm-40 -86.62 -174.8 5.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 66.3 p -150.3 139.87 21.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -153.47 124.75 7.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.0 tt -123.67 136.57 59.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.411 ' O ' ' CG2' ' A' ' 96' ' ' THR . 3.3 m-80 -122.18 136.8 54.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -107.3 133.63 51.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -133.74 133.17 41.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.5 p -78.67 -36.76 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -92.7 139.09 30.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.73 -63.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -43.43 -52.55 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.25 -49.48 6.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.89 96.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -57.82 -45.24 86.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 38.0 mtpt -57.35 -45.16 84.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.84 -46.8 77.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 66' ' ' TYR . 3.3 t80 -57.94 -53.67 55.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.2 -52.75 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -48.24 -56.14 8.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.455 ' CG ' HD11 ' A' ' 85' ' ' ILE . 14.3 tppt? -51.75 -45.65 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.413 ' CD2' ' N ' ' A' ' 130' ' ' ARG . 18.0 t80 -64.29 -66.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 134' ' ' LYS . 8.6 ttt-85 -49.3 -29.82 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -73.37 -31.52 63.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.555 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 40.4 mmtt -91.12 -22.62 20.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 82.6 p -113.83 6.08 16.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.168 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 130' ' ' ARG . 27.6 mtpp 39.2 39.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 2.8 m-80 -144.86 163.26 34.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -91.06 134.05 34.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -56.52 -39.03 72.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.31 89.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.594 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 13.2 mt-10 -92.37 38.22 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 19.0 ptt-85 -63.18 -17.32 62.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.82 -47.2 80.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -94.45 34.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 74.6 t80 -52.01 116.13 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 95.8 t -99.13 128.03 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.2 p -96.93 109.52 22.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -93.15 153.03 41.72 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 120.36 7.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 97.37 -40.85 2.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.74 177.73 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.555 ' CD2' ' HD2' ' A' ' 132' ' ' LYS . 16.5 m-85 -79.04 142.21 36.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.6 p -101.41 166.54 10.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 44.4 tp -109.29 109.71 20.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.481 HD11 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -115.9 168.61 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.534 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 10.4 pt-20 -118.1 17.24 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 6.1 p 50.58 173.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.42 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 49.0 mt-30 -127.09 120.9 30.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.906 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.4 p -170.95 133.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.382 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.6 p 178.39 -59.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.93 -161.41 45.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.0 t -124.27 106.89 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 110.843 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.4 m -134.78 177.44 7.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.01 171.25 13.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.55 37.35 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.716 0.293 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.36 177.07 4.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mmtm -118.53 135.66 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -94.17 157.87 15.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.1 mm -137.62 140.92 40.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.3 mm -115.21 133.9 60.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -108.38 114.5 28.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ASP . 89.6 t -50.12 116.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -36.18 141.86 0.33 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.854 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.1 Cg_endo -69.8 -38.89 7.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.252 . . . . 0.0 112.361 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -56.38 -31.83 64.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.5 t -68.16 134.92 91.43 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.542 0.687 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -51.31 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' ASN . 53.6 mt -45.77 -33.42 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' LEU . 60.3 p -37.25 -42.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.4 t -66.28 -44.4 83.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' LEU . 47.3 m-20 -54.26 126.71 54.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.601 0.715 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 130.74 19.81 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.36 -34.15 5.87 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.1 m -59.47 104.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.738 0.304 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -117.93 157.55 26.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.445 HG21 ' CD2' ' A' ' 88' ' ' LEU . 94.4 t -80.79 109.56 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.542 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 63.9 t80 -45.39 119.6 2.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.542 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 9.2 mt-10 48.59 -144.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -105.67 44.35 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -87.79 78.85 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -157.3 105.66 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.4 m -139.78 164.08 30.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.431 HG21 ' N ' ' A' ' 70' ' ' LEU . 20.6 m -118.4 146.61 44.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 150' ' ' TYR . 50.9 mt -118.29 146.23 44.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -134.71 144.82 47.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.517 ' OE1' ' CE2' ' A' ' 150' ' ' TYR . 11.5 pt20 -151.79 125.45 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.5 p -125.38 158.21 34.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -149.52 148.57 29.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.7 tt -75.52 51.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -134.6 108.84 8.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 42.59 41.14 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 m120 48.0 54.56 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.407 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 2.8 t-20 -81.27 112.66 18.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 79' ' ' ASN . 5.1 m-20 -133.42 123.38 25.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -132.88 174.84 9.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -143.9 159.28 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -142.5 124.08 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 89.3 mt -113.45 135.64 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.431 HG23 ' CE2' ' A' ' 125' ' ' PHE . 75.1 mt -137.88 108.32 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -121.74 158.28 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 tt -115.89 108.0 15.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.445 ' CD2' HG21 ' A' ' 62' ' ' VAL . 29.2 mt -95.65 157.42 15.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.561 ' HG3' ' CE2' ' A' ' 95' ' ' PHE . 22.1 tt0 -137.89 130.32 29.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -98.22 169.32 9.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.5 p -63.85 -32.73 74.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.563 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 6.3 m-20 -81.35 49.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 92' ' ' ASN . 1.3 ppt_? 32.13 36.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.3 m-85 -115.02 120.34 39.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 89' ' ' GLN . 49.8 m-85 -92.89 160.81 14.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.8 m -147.24 120.58 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 5.5 m -86.12 109.44 18.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 49.6 t-105 -87.14 112.63 22.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -110.04 127.72 55.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -136.6 116.46 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -132.1 176.77 8.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.38 -124.22 1.98 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -119.31 156.54 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.0 t -70.24 121.73 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.78 29.97 9.41 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -160.29 154.72 23.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.4 t -57.47 -39.49 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.21 -171.36 36.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -59.25 173.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.943 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 m -142.15 118.93 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -136.3 124.57 23.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.6 tt -124.02 134.94 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -125.7 133.9 51.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -108.71 130.48 55.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -122.83 130.44 52.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.1 p -71.31 -41.95 69.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -92.42 145.93 24.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.554 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 30.4 tp -69.5 -59.55 2.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -45.01 -54.49 6.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -45.85 -47.35 15.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.26 -49.63 74.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -51.4 -46.95 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -53.98 -43.42 69.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.02 -37.92 86.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.431 ' CE2' HG23 ' A' ' 85' ' ' ILE . 2.3 t80 -69.15 -56.36 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -61.99 -38.75 89.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -63.62 -58.48 6.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 16.6 tppt? -60.13 -45.6 92.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -61.6 -48.43 80.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 134' ' ' LYS . 18.1 ttt-85 -67.94 -29.81 68.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.14 -22.04 60.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.442 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 69.2 mmtt -99.3 -27.54 13.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 65.7 p -108.67 -1.73 19.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 130' ' ' ARG . 16.8 mtpp 50.13 36.86 13.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 4.5 m-80 -148.51 162.04 40.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -86.02 135.65 33.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -59.19 -34.0 71.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.74 -32.23 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.484 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 15.9 mt-10 -85.11 27.48 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -53.37 -24.76 13.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.3 -49.97 72.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.484 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.8 p-80 -108.48 50.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -71.7 112.57 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.6 p -90.78 132.91 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 31.3 p -99.39 99.23 10.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -80.33 149.44 68.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.571 0.701 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 131.12 20.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 0.0 112.358 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 92.55 -40.52 2.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -71.85 175.43 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.517 ' CE2' ' OE1' ' A' ' 72' ' ' GLN . 12.2 m-85 -74.01 137.45 43.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.4 p -101.72 166.46 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 38.7 tp -105.78 108.84 20.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.483 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -111.78 178.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.55 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 9.1 pt-20 -130.87 16.01 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.55 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 6.3 p 50.71 172.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.404 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 75.7 mt-30 -108.64 83.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.6 m -135.49 99.8 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 m -112.36 -55.38 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.15 -159.48 31.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 t -165.74 42.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.5 m -128.91 142.51 50.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.16 -132.13 2.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.453 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.58 89.52 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.746 0.308 . . . . 0.0 111.078 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -118.32 175.45 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.89 177.22 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -78.18 143.18 37.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.4 mm -116.31 152.23 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.8 mm -122.02 143.68 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -113.99 111.92 22.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' ASP . 99.9 t -44.05 117.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -34.98 141.98 0.26 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.676 0.751 . . . . 0.0 110.805 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.3 Cg_endo -69.83 -31.46 20.19 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.731 2.288 . . . . 0.0 112.29 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.6 p -59.28 -38.19 79.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.152 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 38.3 t -67.67 136.93 92.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -50.03 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.417 ' CD1' HD11 ' A' ' 112' ' ' ILE . 63.5 mt -43.19 -34.99 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.1 p -40.81 -48.58 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.6 m -59.22 -45.59 90.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -55.39 128.35 67.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.613 0.721 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 134.5 28.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.371 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.99 -33.72 6.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 95.7 m -66.68 93.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 111.133 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -109.33 178.28 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.1 t -95.49 108.94 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.579 ' CD2' HD23 ' A' ' 87' ' ' LEU . 29.9 t80 -53.9 99.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.563 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 5.3 mt-10 72.48 -145.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -113.33 40.05 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.402 ' HD1' ' CE1' ' A' ' 125' ' ' PHE . 15.2 m-85 -80.42 75.54 7.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.3 t30 -145.58 108.23 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.0 p -131.48 138.62 49.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.4 m -98.85 132.92 43.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.1 mt -117.6 134.11 55.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -112.87 155.97 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.415 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 6.6 tp60 -150.64 107.08 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.9 p -109.36 156.11 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -145.73 146.54 31.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.472 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 8.4 tp -75.66 52.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -135.35 109.27 8.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 42.12 40.69 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.4 m120 46.02 54.96 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -94.86 118.66 32.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.42 ' C ' HG22 ' A' ' 104' ' ' VAL . 21.7 m-20 -123.14 137.48 54.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.462 ' CA ' HG22 ' A' ' 104' ' ' VAL . 62.3 mttt -126.7 172.09 10.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -140.93 171.29 14.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -160.35 117.81 2.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 85' ' ' ILE . 27.7 mt -114.17 139.26 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.501 HG23 ' CD2' ' A' ' 125' ' ' PHE . 43.1 mt -137.79 109.71 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.433 ' CD ' ' HB2' ' A' ' 67' ' ' ASN . 13.3 mt-30 -118.49 149.7 40.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.579 HD23 ' CD2' ' A' ' 63' ' ' TYR . 4.0 tt -103.3 108.08 19.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.5 mt -95.17 148.61 22.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.439 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 20.0 tt0 -131.74 115.71 16.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.17 168.33 18.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.3 t -75.77 -19.52 58.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.458 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 28.8 m-20 -91.15 43.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.2 mtt85 42.16 40.78 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.458 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 20.6 m-85 -132.02 116.3 16.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.54 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 16.0 m-85 -92.33 167.55 11.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.3 m -147.46 122.1 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.5 m -88.76 106.55 18.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.496 ' CZ2' ' HB2' ' A' ' 100' ' ' ARG . 44.5 t-105 -86.43 120.76 28.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -123.08 108.62 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.496 ' HB2' ' CZ2' ' A' ' 98' ' ' TRP . 22.8 ttt180 -116.46 128.76 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.472 ' CH2' ' HB2' ' A' ' 111' ' ' LYS . 17.6 p90 -144.14 175.04 10.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.76 -153.68 24.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -82.94 128.87 34.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.462 HG22 ' CA ' ' A' ' 81' ' ' LYS . 87.0 t -49.36 124.17 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.24 -41.13 2.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -102.04 143.82 31.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 89.7 t -43.84 -46.17 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.08 -144.38 33.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -83.93 155.74 22.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.3 p -126.59 131.03 51.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.472 ' HB2' ' CH2' ' A' ' 101' ' ' TRP . 28.1 tptt -136.89 121.99 19.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.417 HD11 ' CD1' ' A' ' 54' ' ' LEU . 15.3 tt -125.85 135.8 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -123.38 140.46 52.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -109.89 133.23 53.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -131.08 125.78 34.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.3 p -67.84 -39.78 83.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.6 mtp85 -90.72 170.34 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.54 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 21.7 tp -94.61 -49.42 5.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.402 ' C ' ' HE3' ' A' ' 123' ' ' LYS . 67.3 mt-10 -53.89 -60.07 3.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -41.52 -46.36 3.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.2 86.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -59.49 -44.53 93.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.402 ' HE3' ' C ' ' A' ' 119' ' ' GLU . 35.4 mttt -56.22 -42.35 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -48.5 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.551 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 1.6 t80 -54.28 -48.62 71.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.21 -57.82 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -39.53 -55.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.438 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.8 tppt? -52.23 -44.59 64.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 130' ' ' ARG . 9.2 t80 -68.66 -62.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.42 ' N ' ' CD1' ' A' ' 129' ' ' PHE . 37.8 ttp85 -49.2 -24.57 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -85.21 -34.15 22.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -84.0 -18.95 35.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 68.3 p -115.59 -13.74 11.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 60.35 40.32 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -154.63 145.45 22.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -72.0 135.17 46.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -55.19 -38.5 68.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.84 -41.0 79.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.59 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.1 mt-10 -89.09 36.6 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -60.35 -23.05 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -50.39 -52.01 41.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -90.7 36.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.598 ' CZ ' ' CB ' ' A' ' 152' ' ' LEU . 52.3 t80 -62.27 107.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.42 HG12 ' NE2' ' A' ' 146' ' ' HIS . 5.2 p -96.82 127.84 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 65.9 p -93.53 99.43 11.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.42 ' NE2' HG12 ' A' ' 144' ' ' VAL . 70.5 m-70 -80.79 145.52 57.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.549 0.69 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 114.85 3.83 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.682 2.255 . . . . 0.0 112.373 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 115.38 -38.57 3.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -80.71 178.84 8.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.415 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 30.7 m-85 -75.03 149.94 39.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.5 p -108.01 164.7 12.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.598 ' CB ' ' CZ ' ' A' ' 143' ' ' PHE . 35.2 tp -106.78 108.69 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.47 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.88 172.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.546 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 15.3 pt-20 -121.81 14.35 10.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.546 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 7.0 p 50.44 172.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.413 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 82.9 mt-30 -134.84 104.33 5.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 t 63.15 130.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.869 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.3 t -164.62 99.85 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.31 -138.76 6.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.1 t 61.66 118.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.7 t -48.2 131.36 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.48 -89.05 0.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 66.8 115.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.3 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -50.86 146.57 5.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -93.84 126.54 39.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -60.96 139.19 58.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.0 mm -132.87 148.76 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 47' ' ' ARG . 40.5 mm -120.17 139.26 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.41 ' N ' HG21 ' A' ' 46' ' ' ILE . 9.5 mmm180 -113.32 122.97 49.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.419 HG11 ' CB ' ' A' ' 55' ' ' SER . 42.2 t -51.84 119.2 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -47.87 142.7 6.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.846 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.6 Cg_endo -69.71 -34.13 15.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.8 p -56.88 -39.7 74.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.5 t -66.11 137.35 95.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.619 0.723 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -50.88 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.638 2.225 . . . . 0.0 112.359 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.8 mt -45.53 -34.84 3.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.419 ' CB ' HG11 ' A' ' 48' ' ' VAL . 6.3 t -39.45 -46.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.0 t -55.74 -47.55 76.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -56.46 130.66 76.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 141.18 44.68 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.351 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.38 -40.37 2.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.0 m -56.97 106.61 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.752 0.311 . . . . 0.0 111.134 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -123.32 158.58 30.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' TYR . 94.1 t -74.06 102.65 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 76.4 t80 -36.96 124.36 0.89 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 18.4 mt-10 43.32 -146.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.06 41.58 1.45 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -83.05 70.46 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.2 t30 -146.94 100.49 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 p -121.1 141.19 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.9 m -101.59 135.57 42.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -120.71 140.71 51.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -119.25 151.75 37.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -150.1 106.4 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.3 p -115.34 155.42 27.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -148.86 148.21 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.1 tt -75.55 51.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -134.85 108.82 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 42.44 40.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 m120 48.36 54.95 9.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.46 114.45 20.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.424 ' C ' HG22 ' A' ' 104' ' ' VAL . 9.0 m-20 -130.68 129.78 43.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -128.3 178.65 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -151.6 128.27 10.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -112.63 123.85 51.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.6 mt -118.32 131.14 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.0 mt -132.81 104.3 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -114.66 157.94 22.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.6 tt -120.68 103.55 9.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 mt -91.34 163.0 14.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -144.55 117.34 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.52 170.55 13.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.6 t -63.79 -26.02 68.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.547 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 3.3 m120 -85.47 47.3 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 31.98 36.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 22.0 m-85 -117.49 118.1 31.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.528 ' CZ ' ' CD1' ' A' ' 118' ' ' LEU . 18.9 m-85 -91.94 165.04 13.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.829 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 68.6 m -150.03 120.91 7.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.64 104.51 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -86.62 116.73 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -116.33 132.18 56.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -143.04 114.53 7.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 37.3 p90 -121.95 161.04 23.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 156.34 -173.99 34.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -69.57 136.7 51.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.424 HG22 ' C ' ' A' ' 80' ' ' ASN . 92.3 t -52.91 116.14 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 116.91 -39.46 2.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -91.42 170.03 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 100.0 t -71.23 -44.5 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.94 -157.87 41.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -81.1 169.47 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.6 p -130.43 125.32 34.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -137.92 113.93 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.0 tt -116.65 136.28 54.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -125.94 125.12 42.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -98.38 139.27 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -135.08 134.5 40.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 19.8 p -80.31 -37.9 31.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.2 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -95.31 137.55 34.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.528 ' CD1' ' CZ ' ' A' ' 95' ' ' PHE . 43.3 tp -60.55 -62.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -49.31 -42.56 41.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.48 -44.44 65.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.59 -42.09 74.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -56.31 -46.21 79.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -53.35 -39.48 64.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.21 -50.05 15.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 5.3 t80 -53.12 -47.06 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -71.15 -53.15 15.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -43.15 -56.52 3.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.47 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -51.42 -45.88 62.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -62.84 -62.22 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 134' ' ' LYS . 13.9 ttt-85 -54.74 -29.93 55.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.16 -24.48 57.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.417 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 55.9 mmtt -99.84 -19.66 16.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 64.6 p -117.7 6.45 12.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 130' ' ' ARG . 23.8 mtpp 38.73 36.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -143.74 164.07 31.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -86.67 141.61 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -66.11 -36.4 83.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.17 -39.17 68.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.598 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.7 mt-10 -92.33 36.49 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -62.0 -17.5 57.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -56.8 -47.01 81.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -95.84 36.56 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.543 ' CE2' ' HB2' ' A' ' 152' ' ' LEU . 51.3 t80 -53.42 115.86 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 84.9 t -106.39 114.37 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.9 t -81.48 144.34 31.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -125.75 149.48 65.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 113.24 3.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 112.5 -38.75 3.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -77.82 178.3 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.417 ' CD2' ' HD2' ' A' ' 132' ' ' LYS . 16.1 m-85 -78.29 151.83 32.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 9.9 p -107.29 166.38 10.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.543 ' HB2' ' CE2' ' A' ' 143' ' ' PHE . 35.3 tp -109.93 108.17 18.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.468 HD11 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -113.74 169.81 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.553 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 14.0 pt-20 -118.83 12.14 12.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.553 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 8.1 p 50.36 172.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.426 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 11.1 pt20 -134.34 118.49 17.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.7 p -170.2 128.7 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.846 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.6 t 176.95 132.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.61 159.42 9.63 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -173.44 143.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.38 . . . . 0.0 110.848 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.3 p -158.3 119.38 3.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.8 -151.14 12.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.37 137.82 35.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.328 . . . . 0.0 111.063 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -40.62 137.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -114.59 140.23 48.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -103.82 143.9 32.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.7 mm -129.26 143.97 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.2 mm -122.22 157.96 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 47' ' ' ARG . 3.0 mmm180 -136.53 129.2 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG2' HG22 ' A' ' 62' ' ' VAL . 87.2 t -55.65 115.89 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 3.3 t70 -36.87 142.09 0.37 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.3 Cg_endo -69.77 -42.95 2.95 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 p -53.65 -28.45 33.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -73.75 135.51 77.82 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -51.39 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 45.8 mt -41.79 -36.08 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.8 t -40.56 -45.05 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.8 m -59.65 -48.71 80.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -54.12 129.67 58.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 133.04 24.69 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.652 2.235 . . . . 0.0 112.406 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.24 -36.6 4.29 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.9 m -65.73 111.6 3.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.71 0.291 . . . . 0.0 111.114 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -131.08 161.01 33.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.47 HG22 ' CG2' ' A' ' 48' ' ' VAL . 59.2 t -71.65 111.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.572 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 55.6 t80 -51.73 130.37 28.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.572 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 10.3 mt-10 37.69 -143.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -107.23 42.19 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -84.65 71.11 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 11.2 p-10 -147.43 102.97 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.2 p -125.02 137.47 54.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.4 m -98.99 130.76 45.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.4 mt -117.03 141.84 47.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -119.59 159.15 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.495 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 5.2 tp60 -155.01 105.02 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.0 p -111.41 157.51 20.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -148.91 147.0 28.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.453 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 3.0 tp -75.6 51.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -136.09 109.71 8.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.2 m120 42.56 40.51 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 47.75 54.99 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -83.04 114.45 21.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -125.56 127.01 45.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -123.45 176.44 6.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -151.11 132.12 14.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -118.25 120.01 36.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.951 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.8 mt -111.79 135.35 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.511 HG21 ' CD2' ' A' ' 125' ' ' PHE . 74.9 mt -138.53 106.27 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -121.11 146.99 46.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 tt -103.76 111.97 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.7 mt -97.92 152.73 18.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.447 ' HG3' ' CE2' ' A' ' 95' ' ' PHE . 24.9 tt0 -131.07 115.61 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.47 169.38 17.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.4 m -76.15 -19.45 58.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.547 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 17.9 m-20 -91.63 45.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.435 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 15.4 mtp180 39.54 43.14 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 20.4 m-85 -134.72 119.0 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.454 ' CZ ' HD11 ' A' ' 118' ' ' LEU . 39.8 m-85 -91.59 166.2 12.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.2 m -145.9 122.0 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 49.4 m -85.44 103.1 14.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -86.43 115.66 24.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -123.31 121.26 35.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -131.6 117.85 19.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 28.7 p90 -127.27 165.11 20.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 152.86 -157.45 27.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -83.57 136.23 34.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.375 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.2 t -53.42 126.1 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 104.37 -40.39 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.34 138.43 34.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.847 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.4 t -40.09 -39.81 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.27 -151.56 45.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -82.68 154.9 24.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.935 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 65.0 p -122.94 126.22 46.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -139.58 118.07 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.6 tt -121.34 140.84 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -128.53 139.81 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -114.31 129.29 56.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -124.38 135.51 53.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.9 p -75.61 -42.93 50.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -92.01 148.92 21.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.454 HD11 ' CZ ' ' A' ' 95' ' ' PHE . 36.0 tp -72.91 -54.15 9.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -50.55 -44.06 56.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -56.4 -44.14 79.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.64 92.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.443 ' HE3' ' CD1' ' A' ' 118' ' ' LEU . 63.4 mttt -60.76 -45.42 94.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -57.52 -42.8 83.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.84 -55.78 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 1.6 t80 -51.99 -47.42 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.24 -57.8 4.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.4 OUTLIER -40.34 -54.16 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 15.2 tppt? -52.28 -52.49 52.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 130' ' ' ARG . 2.9 t80 -59.32 -59.36 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 134' ' ' LYS . 38.9 ttp85 -51.28 -32.08 23.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -77.67 -30.08 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -86.78 -21.64 26.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.44 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 32.6 p -116.59 -2.23 12.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 130' ' ' ARG . 34.6 mtpt 49.0 40.39 16.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -152.2 145.18 24.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -69.95 139.73 52.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -63.33 -36.85 85.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.29 -39.98 74.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.3 mt-10 -91.38 37.67 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -61.5 -19.87 62.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -53.99 -45.25 71.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -99.29 40.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.44 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 60.5 t80 -55.76 109.59 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 70.7 t -97.94 104.38 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.1 p -75.84 99.82 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -75.45 146.45 80.95 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.604 0.716 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 120.28 7.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.385 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 108.7 -41.41 2.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -74.03 -177.38 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.321 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 21.8 m-85 -72.62 175.73 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.3 p -130.15 163.82 25.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 51.3 tp -104.35 111.44 24.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.472 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -118.86 172.22 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.535 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 14.8 pt-20 -120.75 17.05 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.535 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 6.5 p 50.37 172.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.419 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 46.7 mm-40 -150.22 115.19 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.5 p -102.95 -49.2 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.0 m 49.65 93.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.54 170.67 54.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m 47.31 83.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.7 p -127.9 115.12 18.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.02 -62.14 6.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.467 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.63 133.65 12.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -47.01 110.77 0.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -45.62 162.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.22 125.99 44.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 46' ' ' ILE . 31.2 mm -104.84 146.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.422 HD12 ' CG ' ' A' ' 67' ' ' ASN . 47.5 mm -121.56 136.83 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.406 ' N ' HG23 ' A' ' 46' ' ' ILE . 14.4 mmm180 -112.93 130.42 56.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.462 HG13 ' CB ' ' A' ' 55' ' ' SER . 58.7 t -62.24 111.92 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' VAL . 1.2 t70 -35.89 141.62 0.32 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.1 Cg_endo -69.69 -43.24 2.84 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.737 2.291 . . . . 0.0 112.368 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.5 p -54.53 -28.45 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.1 t -74.96 132.52 77.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -52.27 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.382 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.5 mt -38.37 -33.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.462 ' CB ' HG13 ' A' ' 48' ' ' VAL . 1.3 t -43.67 -46.84 7.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -54.84 -47.97 73.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -57.34 126.57 74.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 135.94 31.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.83 -33.87 6.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.9 m -61.54 104.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 0.0 111.128 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -115.49 169.56 9.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 73.2 t -87.96 103.33 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.563 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 82.6 t80 -40.42 118.12 0.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.563 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 7.3 mt-10 50.52 -145.38 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -108.81 40.68 1.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -81.94 78.22 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 11.2 p-10 -153.8 97.17 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.1 p -124.88 136.81 54.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.3 m -95.26 136.45 35.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.7 mt -120.13 139.16 53.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -116.08 154.38 30.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -151.34 106.54 3.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.4 p -109.96 156.85 19.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.163 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -147.8 147.08 29.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.0 tt -75.48 51.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -134.23 108.28 8.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 42.09 40.88 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 m120 46.11 53.64 9.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -90.8 117.32 29.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -123.69 135.99 54.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -122.95 174.28 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -148.62 129.9 14.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.516 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 2.9 t80 -116.21 124.74 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.2 mt -117.34 137.87 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.142 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.41 HD13 ' CG ' ' A' ' 128' ' ' LYS . 63.5 mt -139.2 108.93 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -124.49 153.95 41.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 tt -112.77 116.06 29.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.5 mt -104.16 152.01 22.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.415 ' HG3' ' CZ ' ' A' ' 95' ' ' PHE . 28.5 tt0 -129.21 117.44 20.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -84.24 167.85 16.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 t -79.46 -2.42 41.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.57 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 35.9 m-20 -99.83 39.21 1.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.407 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 16.6 mtm180 45.57 32.75 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 15.5 m-85 -134.11 135.88 43.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.545 ' CE2' HD12 ' A' ' 118' ' ' LEU . 4.2 m-85 -105.35 167.46 9.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 m -144.58 120.88 10.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.38 106.75 16.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -86.33 125.27 33.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -125.11 126.53 45.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -131.0 120.67 23.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -140.92 169.37 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 143.74 -132.1 4.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -101.28 128.37 47.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 81.9 t -48.17 133.25 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 100.3 -42.3 1.99 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -96.3 175.49 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.38 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 85.5 t -74.71 -45.46 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.57 -140.48 22.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -83.8 170.09 14.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 61.0 p -134.64 122.94 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -139.19 118.35 12.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.8 tt -124.03 138.18 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -131.07 122.26 26.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -95.59 142.56 27.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.404 ' CD1' ' OD1' ' A' ' 120' ' ' ASP . 96.2 m-85 -134.23 130.19 36.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 82.2 p -67.02 -44.53 80.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -91.39 154.94 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.545 HD12 ' CE2' ' A' ' 95' ' ' PHE . 27.7 tp -78.33 -54.55 6.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -49.16 -49.22 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.404 ' OD1' ' CD1' ' A' ' 115' ' ' PHE . 7.6 t70 -48.84 -43.47 38.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.41 -45.8 75.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -53.36 -42.87 67.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -60.15 -42.89 95.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.81 -45.79 81.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.452 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 5.0 t80 -58.35 -56.05 27.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -63.44 -51.18 66.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER -45.33 -56.79 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.445 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 16.0 tppt? -55.94 -57.82 10.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -46.3 -59.56 2.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 134' ' ' LYS . 31.7 ttt180 -59.68 -32.01 70.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -71.93 -23.34 61.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -97.66 -27.63 14.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 66.4 p -111.58 7.23 20.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 130' ' ' ARG . 18.2 mtpp 40.05 35.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 3.5 m-80 -142.1 167.32 22.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -91.54 144.2 25.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -71.16 -36.32 71.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.21 -32.75 74.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.446 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 38.0 mt-10 -87.41 26.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 21.2 ptt-85 -50.11 -23.62 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -56.84 -49.75 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.446 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.7 p-80 -111.81 44.49 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.446 ' CE1' ' HB3' ' A' ' 152' ' ' LEU . 31.5 t80 -54.59 105.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 87.9 t -75.24 132.2 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 80.2 p -107.55 105.27 15.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -82.36 147.85 57.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.807 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 113.8 3.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.367 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 108.65 -39.23 2.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -72.02 174.21 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.338 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.516 ' CE1' ' HB2' ' A' ' 83' ' ' TYR . 21.8 m-85 -68.2 141.26 56.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.1 p -101.6 166.25 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.446 ' HB3' ' CE1' ' A' ' 143' ' ' PHE . 42.5 tp -108.71 108.17 18.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.472 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.13 173.61 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' A' ' 155' ' ' VAL . 14.4 pt-20 -126.55 17.96 7.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 156' ' ' GLN . 1.1 p 44.54 -175.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.517 ' N ' HG13 ' A' ' 155' ' ' VAL . 65.5 mt-30 -124.79 105.15 9.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.909 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' SER . 26.3 m -115.57 -57.71 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' SER . 37.5 p 36.93 84.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.49 45.8 3.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.535 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 t -179.36 42.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.835 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.6 p -81.58 143.4 32.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.02 -70.6 0.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.14 84.01 5.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.733 0.301 . . . . 0.0 111.126 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -118.63 156.06 29.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -100.0 109.49 21.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.63 135.46 18.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 mm -114.04 145.27 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.9 mm -121.64 155.68 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -138.57 120.58 15.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.458 ' CG2' HG21 ' A' ' 62' ' ' VAL . 63.6 t -47.66 118.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -46.87 143.07 4.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.844 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.6 Cg_endo -69.73 -35.94 11.81 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.9 p -55.39 -40.63 71.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 14.1 t -63.73 138.54 97.41 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.24 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.724 2.282 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.9 mt -45.25 -36.34 3.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.22 -49.15 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 m -56.83 -42.66 80.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -60.41 125.17 81.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.58 0.705 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 135.61 30.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.11 -37.15 3.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.1 m -59.57 116.04 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.747 0.308 . . . . 0.0 111.157 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -122.96 166.69 14.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.458 HG21 ' CG2' ' A' ' 48' ' ' VAL . 90.8 t -85.99 102.41 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 65.0 t80 -40.15 125.69 2.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.575 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 5.9 mt-10 41.22 -143.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.28 46.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.441 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 42.9 m-85 -89.17 80.8 6.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -163.13 108.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.9 p -132.8 142.85 49.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.8 m -99.3 134.27 42.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -118.46 145.8 44.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -128.01 149.18 50.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -151.28 128.66 11.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 p -129.12 158.67 38.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -146.55 150.23 35.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.7 tt -75.43 50.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -133.95 107.8 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 42.05 40.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.8 m120 45.61 55.0 7.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -87.83 115.48 25.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.422 ' C ' HG22 ' A' ' 104' ' ' VAL . 8.4 m-20 -127.77 132.17 49.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -125.28 178.9 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -147.64 137.13 22.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.407 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 0.6 OUTLIER -119.35 122.39 41.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 85' ' ' ILE . 91.5 mt -117.58 136.69 53.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.447 ' N ' HG22 ' A' ' 84' ' ' ILE . 81.1 mt -138.79 109.57 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -124.86 145.08 49.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 tt -108.19 113.9 27.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.1 mt -101.26 167.85 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.405 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 35.1 tt0 -150.58 119.41 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 90' ' ' ASP . 24.4 p30 -90.36 168.17 12.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.0 m -69.93 -5.35 25.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.491 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 21.7 m-20 -94.33 37.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 39.1 37.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 21.9 m-85 -131.8 123.23 27.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 28.6 m-85 -94.07 155.44 17.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.445 HG22 ' CD1' ' A' ' 112' ' ' ILE . 25.9 m -132.3 137.13 47.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.14 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.1 m -100.03 102.5 13.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -86.46 115.02 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -122.13 116.76 24.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 43.9 ttp85 -128.45 118.83 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -129.27 164.32 23.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.68 -168.38 33.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -70.43 137.07 50.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.422 HG22 ' C ' ' A' ' 80' ' ' ASN . 87.9 t -54.68 120.31 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.29 -40.2 2.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -90.34 174.87 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.9 t -74.55 -45.89 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.21 -170.01 53.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -67.32 166.77 13.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.1 p -131.39 120.58 23.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -134.87 124.14 24.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.445 ' CD1' HG22 ' A' ' 96' ' ' THR . 13.2 tt -125.73 145.33 33.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -127.63 149.39 50.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -123.77 123.57 40.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -120.17 134.22 55.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 78.0 p -78.21 -25.71 47.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -106.54 139.94 40.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 23.8 tp -63.95 -49.79 71.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -49.5 -56.86 8.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -41.54 -44.61 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.95 -46.88 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -50.71 -47.73 59.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 124' ' ' ASP . 18.3 mttt -62.5 -69.42 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 123' ' ' LYS . 9.9 t0 -35.42 -48.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.486 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 3.3 t80 -60.21 -57.55 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -62.48 -62.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER -39.6 -53.17 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.9 tppt? -55.83 -49.85 72.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -58.51 -58.59 7.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 134' ' ' LYS . 8.1 ttt85 -54.75 -31.91 59.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.05 -27.99 64.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.568 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 67.9 mmtt -94.77 -23.65 17.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 134' ' ' LYS . 66.9 p -115.49 11.55 15.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 130' ' ' ARG . 9.9 mtpm? 34.2 40.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -146.48 152.96 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -81.52 135.48 35.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -58.97 -40.21 84.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.13 90.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.6 mt-10 -91.86 39.55 1.02 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -62.3 -21.71 65.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -52.12 -45.46 64.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -99.59 41.08 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 72.4 t80 -56.78 103.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 80.0 t -93.29 105.02 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.5 t -79.19 152.88 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -126.15 152.27 73.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.557 0.694 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.62 4.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.656 2.237 . . . . 0.0 112.324 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 100.69 -32.8 6.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -71.93 -175.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 132' ' ' LYS . 29.3 m-85 -81.99 130.92 35.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.3 p -96.71 166.49 11.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 52.5 tp -107.7 111.92 24.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -117.31 171.74 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.539 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 9.6 pt-20 -121.13 16.64 11.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.539 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 7.5 p 50.41 172.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.417 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 9.1 pt20 -124.23 95.64 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.0 p -72.75 130.89 41.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.833 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.2 p -112.39 146.34 38.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.27 -88.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 p 61.13 120.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 m -159.57 42.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.11 -146.32 14.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.89 163.12 14.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.732 0.301 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.39 149.87 42.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.96 149.92 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -43.48 138.85 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 46' ' ' ILE . 34.7 mm -109.44 143.37 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.43 ' N ' HG22 ' A' ' 45' ' ' ILE . 41.4 mm -115.49 138.29 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -112.32 130.48 55.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ASP . 65.5 t -59.88 114.59 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 2.3 t70 -37.32 142.28 0.4 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.655 0.741 . . . . 0.0 110.85 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.75 -51.31 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.748 2.299 . . . . 0.0 112.323 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.6 p -52.33 -31.34 32.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.0 t -58.25 133.87 84.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -32.21 18.9 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.8 mt -85.19 24.06 1.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.974 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.4 p -85.09 -53.6 5.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 t -64.92 -38.61 91.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -53.45 122.93 34.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 130.62 19.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.284 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.54 -32.32 6.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 45.7 m -71.9 100.3 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 0.0 111.13 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -112.16 162.69 15.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.6 t -81.91 102.14 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.505 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 80.8 t80 -38.69 116.24 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.505 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 5.6 mt-10 47.42 -147.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -106.8 37.08 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.438 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 27.0 m-85 -81.58 73.85 8.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -154.0 109.57 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.9 p -132.94 139.29 47.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.2 m -95.09 134.23 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.3 mt -118.91 144.58 46.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -129.01 152.05 49.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.458 ' OE1' ' CE2' ' A' ' 150' ' ' TYR . 10.4 pt20 -153.0 128.34 9.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 p -130.49 156.34 44.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -144.76 150.96 38.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 2.6 tp -75.55 52.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -135.84 109.33 7.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 8.3 m120 42.46 40.62 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 77' ' ' ASN . 0.6 OUTLIER 47.92 55.03 9.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.429 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 3.0 t-20 -81.04 112.9 18.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 79' ' ' ASN . 4.1 m-20 -133.29 125.78 30.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -129.62 177.37 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -144.62 139.4 28.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.487 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 1.3 t80 -119.53 135.03 54.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.0 mt -126.71 133.65 68.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.9 mt -136.64 110.97 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -127.85 146.22 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.478 HD21 ' CD2' ' A' ' 63' ' ' TYR . 1.4 tt -106.89 107.95 19.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.0 mt -92.81 161.98 14.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.489 ' HG2' ' CE2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -137.31 116.07 12.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -80.74 169.49 17.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 m -73.46 -15.36 61.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.511 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 11.1 m-20 -95.97 44.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 38.86 42.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 21.1 m-85 -131.47 122.77 26.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 14.8 m-85 -92.3 161.64 14.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.479 ' CG2' ' CG1' ' A' ' 112' ' ' ILE . 84.9 m -144.06 121.94 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.139 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.4 m -84.74 102.67 13.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -87.04 105.92 17.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -105.86 133.26 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -138.05 115.76 11.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.458 ' NE1' ' HB2' ' A' ' 109' ' ' GLN . 15.2 p90 -129.51 169.24 15.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.56 -126.81 2.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -116.4 152.34 34.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.419 HG22 ' C ' ' A' ' 80' ' ' ASN . 91.2 t -67.0 115.31 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.96 25.51 7.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -153.9 170.76 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.6 t -73.21 -40.89 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.44 -171.61 43.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.458 ' HB2' ' NE1' ' A' ' 101' ' ' TRP . 42.1 mm-40 -61.89 176.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 72.3 p -142.71 127.14 17.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -144.18 120.75 11.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.479 ' CG1' ' CG2' ' A' ' 96' ' ' THR . 6.4 tt -123.74 136.42 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -124.3 130.33 52.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -104.6 118.41 36.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -112.04 125.38 54.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.8 p -64.64 -44.57 90.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.162 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.9 mmt-85 -88.27 158.59 18.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.552 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 21.5 tp -81.66 -52.42 7.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -51.99 -51.06 59.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -46.89 -43.57 18.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.77 -45.36 78.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -56.87 -46.79 81.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -53.19 -43.12 66.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.83 -49.18 49.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.445 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 5.7 t80 -53.46 -42.22 66.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -80.6 -32.48 36.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -61.43 -53.0 62.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -60.96 -48.74 80.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -59.13 -52.05 67.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 134' ' ' LYS . 15.1 ttt-85 -65.32 -33.12 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -71.12 -25.75 62.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.566 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 29.6 mmtm -97.07 -25.08 15.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.509 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 69.6 p -110.99 6.73 21.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' ARG . 20.3 mtpp 39.02 36.99 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -143.65 161.12 39.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -91.11 129.95 37.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.5 t-105 -48.86 -38.4 22.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.73 79.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 15.4 mt-10 -92.0 38.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 -64.43 -18.78 65.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -55.81 -47.16 77.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -95.81 38.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.509 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 30.7 t80 -57.55 111.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 65.5 t -92.89 117.52 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.185 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.6 p -86.32 99.82 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -79.09 149.3 73.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.81 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 108.53 2.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 109.29 -36.02 4.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -66.22 -176.09 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.775 0.321 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.566 ' CE2' ' HD2' ' A' ' 132' ' ' LYS . 13.7 m-85 -82.38 133.11 35.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 23.8 p -95.26 166.33 11.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 0.9 OUTLIER -110.76 114.37 27.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.479 HD12 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -109.65 179.71 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.552 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 14.5 pt-20 -128.25 10.99 6.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.552 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 6.7 p 50.68 172.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.42 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 13.2 pt20 -111.12 110.48 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.8 m -112.58 -52.01 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -134.7 156.93 47.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -95.12 -114.53 2.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.0 m -137.25 114.04 10.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.845 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 t -175.44 116.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -143.7 76.5 0.29 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.86 135.63 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -95.71 141.73 28.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -111.83 123.67 50.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -75.97 113.0 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.835 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.7 mm -121.51 144.33 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.46 HG22 ' CG1' ' A' ' 62' ' ' VAL . 39.4 mm -117.48 134.78 59.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -121.04 130.0 53.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.7 t -56.04 115.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.1 t70 -38.15 142.11 0.48 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.658 0.742 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.72 -43.46 2.68 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.3 p -51.74 -35.2 42.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.0 t -67.05 138.84 95.1 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -51.41 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 60' ' ' THR . 95.1 mt -43.69 -35.64 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -40.51 -50.59 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.2 t -61.14 -46.96 88.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -53.03 128.7 47.96 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 132.66 23.87 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.24 -29.31 11.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 54' ' ' LEU . 97.9 m -68.16 109.31 3.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 111.127 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -122.16 170.48 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.46 ' CG1' HG22 ' A' ' 46' ' ' ILE . 91.6 t -87.15 123.83 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.572 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 66.1 t80 -64.66 124.09 21.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.572 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 7.1 mt-10 44.17 -143.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -107.86 34.62 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -82.93 81.67 8.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -160.36 107.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.5 m -139.98 161.03 38.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 70' ' ' LEU . 24.4 m -115.15 146.63 41.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.408 ' N ' HG23 ' A' ' 69' ' ' THR . 54.1 mt -123.15 135.56 54.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -118.91 151.25 38.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.424 ' HB3' ' CD2' ' A' ' 150' ' ' TYR . 1.6 pp0? -154.99 131.85 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.8 p -136.88 158.35 44.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -148.31 150.88 34.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.476 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 9.9 tp -75.64 51.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -136.26 109.84 8.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 42.18 40.55 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.5 m120 44.59 54.94 6.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -86.84 115.09 24.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -129.63 133.83 47.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -131.7 178.01 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -153.52 137.27 16.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -117.4 134.47 54.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.9 mt -124.55 132.73 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.454 HG21 ' CD2' ' A' ' 125' ' ' PHE . 84.8 mt -136.74 106.71 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -122.75 143.15 50.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 tt -102.37 111.09 23.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.8 mt -101.84 160.33 14.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.456 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 31.8 tp60 -135.83 116.9 14.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 94' ' ' PHE . 16.7 p30 -85.94 167.77 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.8 p -72.8 1.02 9.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.577 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 8.0 m-80 -99.0 34.35 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 44.69 26.56 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 15.7 m-85 -128.12 129.52 46.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.54 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 46.9 m-85 -91.5 160.87 15.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 m -138.34 122.77 18.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.157 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.0 m -85.72 104.13 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -86.79 111.1 20.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -112.04 129.01 56.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.2 ttp85 -135.47 118.34 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.2 p90 -129.55 164.05 24.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.86 -162.21 30.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -76.74 135.96 39.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.5 t -54.53 120.91 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.88 -40.17 2.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -92.5 175.26 6.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.1 t -74.34 -46.29 44.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.67 -160.73 45.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.479 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -72.5 176.14 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 78.8 p -138.86 125.11 20.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -135.79 129.85 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.3 tt -133.76 134.42 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -126.07 127.06 45.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -102.23 116.63 33.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -111.11 126.69 55.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.4 p -65.83 -43.85 87.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -89.59 152.84 21.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.54 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 31.5 tp -74.23 -53.39 9.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -50.57 -50.85 52.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.88 -49.44 10.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.26 85.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -55.1 -48.26 73.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -51.09 -42.89 60.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.11 -43.72 73.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.454 ' CD2' HG21 ' A' ' 85' ' ' ILE . 8.1 t80 -60.06 -45.97 91.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -74.25 -46.81 39.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -56.04 -54.95 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.438 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 15.8 tppt? -59.93 -54.22 48.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 130' ' ' ARG . 3.6 t80 -50.37 -60.66 2.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 134' ' ' LYS . 9.0 ttt-85 -59.82 -28.79 67.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.81 -22.15 61.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -101.2 -26.79 13.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.436 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 66.2 p -112.35 8.32 19.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 130' ' ' ARG . 22.3 mtpp 41.05 26.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 133' ' ' THR . 31.1 m-80 -132.0 146.13 51.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -77.31 133.47 38.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -56.16 -37.82 70.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.46 -42.03 65.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.8 mt-10 -90.37 35.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -59.85 -20.42 56.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -53.49 -47.74 69.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -95.95 35.26 1.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 25.7 t80 -57.97 108.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 5.8 p -90.77 126.37 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 95.4 p -95.62 100.99 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -83.38 149.62 58.49 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.528 0.68 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 120.64 7.4 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 101.19 -34.9 5.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.62 178.68 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.31 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.424 ' CD2' ' HB3' ' A' ' 72' ' ' GLN . 38.9 m-85 -80.23 144.67 32.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 22.9 p -106.12 164.55 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.3 tt -107.79 116.33 31.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.17 174.11 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.839 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.539 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 9.2 pt-20 -125.77 15.51 8.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.539 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 7.2 p 50.25 172.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.42 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 0.8 OUTLIER -136.84 130.84 32.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.2 t -83.45 122.04 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.844 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.7 p -41.12 121.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.808 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 159.47 71.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.0 m -161.97 104.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -153.2 103.05 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.32 168.38 25.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -158.01 163.52 37.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -108.81 44.71 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -49.61 140.84 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -61.49 161.64 9.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.0 mm -139.53 143.48 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.6 mm -122.61 133.23 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.27 129.59 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.5 t -64.16 119.52 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.418 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -38.59 142.08 0.53 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.5 Cg_endo -69.81 -48.21 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.3 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.6 p -49.15 -32.57 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.0 t -70.08 138.48 87.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.64 0.734 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -50.98 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.453 ' HB3' ' CG2' ' A' ' 60' ' ' THR . 93.4 mt -43.66 -35.47 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -41.16 -49.87 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 m -61.56 -46.42 89.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -54.97 128.18 64.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 139.54 40.67 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.42 -37.41 3.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.453 ' CG2' ' HB3' ' A' ' 54' ' ' LEU . 96.0 m -59.12 106.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 111.163 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -120.8 161.94 20.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.8 t -80.52 119.8 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.571 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 78.2 t80 -57.81 122.29 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.571 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.3 mt-10 47.53 -145.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 65' ' ' ASP . 20.2 t70 -104.32 39.73 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -81.45 69.67 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 13.9 p-10 -144.99 94.76 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.7 p -125.84 142.78 51.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.8 m -106.21 134.56 49.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -120.44 146.27 46.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -123.37 157.46 33.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.431 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 5.2 tp-100 -153.08 106.97 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.2 p -111.66 158.31 19.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -150.82 145.66 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.5 tt -75.53 51.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -134.41 109.3 8.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m120 42.64 41.1 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 48.59 54.97 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -83.93 112.1 19.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -128.51 122.07 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -119.3 178.86 4.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -149.87 129.05 12.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -112.89 135.87 53.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 78.0 mt -130.45 133.35 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.0 mt -134.09 105.31 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -120.65 146.65 46.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 tt -107.64 107.93 18.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.4 ' CD1' HD12 ' A' ' 54' ' ' LEU . 24.3 mt -95.0 167.17 11.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -149.42 124.95 10.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -92.4 169.35 10.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.3 t -59.4 -31.46 69.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.569 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 35.2 m-20 -82.42 46.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 33.16 34.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.4 m-85 -114.62 118.41 33.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 12.8 m-85 -92.89 167.59 11.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.7 m -148.91 123.91 10.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.8 m -82.32 104.47 12.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -90.37 103.74 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -113.26 123.15 49.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 57.6 ttp85 -133.54 133.67 42.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -143.34 174.2 10.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.11 -160.52 27.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -75.95 131.63 39.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.6 t -50.8 126.72 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 105.79 -39.8 2.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -93.1 170.72 9.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 79.5 t -69.61 -45.97 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.19 -166.32 54.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -71.63 145.06 49.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 54.1 p -115.54 129.63 56.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -133.91 114.66 13.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.8 tt -120.71 136.08 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -127.69 132.46 49.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -103.44 116.06 31.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -110.53 118.25 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 35.8 p -61.62 -39.1 90.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -92.74 156.17 17.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.538 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 30.9 tp -78.43 -63.35 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -47.54 -41.87 22.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.66 -45.5 58.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.93 -35.86 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -60.13 -42.39 94.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -61.22 -44.13 97.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -42.47 73.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.471 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 3.8 t80 -63.25 -43.89 96.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -73.86 -48.43 31.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -52.85 -56.34 16.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -52.8 -48.39 66.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -59.08 -59.37 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 134' ' ' LYS . 18.3 ttt-85 -58.34 -30.21 66.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -73.01 -26.84 61.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.562 ' HD2' ' CD1' ' A' ' 150' ' ' TYR . 35.8 mmtt -95.07 -24.25 16.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.519 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 62.8 p -114.88 9.57 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' ARG . 18.0 mtpp 36.99 39.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.437 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 3.5 m-80 -144.74 160.07 41.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -89.2 133.94 34.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.7 t-105 -56.21 -39.67 72.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.04 -42.39 76.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.5 mt-10 -91.77 39.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -63.16 -20.74 65.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -53.26 -46.22 69.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -98.17 39.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 47.0 t80 -56.25 104.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 96.0 t -89.55 102.47 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.9 p -81.71 99.65 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -78.5 151.15 77.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.7 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 119.23 6.21 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.637 2.224 . . . . 0.0 112.35 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 109.24 -39.22 2.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.515 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -73.86 177.77 5.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.355 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.562 ' CD1' ' HD2' ' A' ' 132' ' ' LYS . 19.3 m-85 -70.72 158.11 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 15.4 p -115.98 166.49 11.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.193 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.0 OUTLIER -109.94 110.45 21.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.482 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.49 169.57 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.542 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 13.3 pt-20 -117.85 13.82 14.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.542 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 5.9 p 51.1 172.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.415 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 9.6 pt20 -93.66 94.5 8.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.7 m -149.04 85.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.4 m -129.28 162.33 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.8 175.62 54.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 p -177.08 129.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -54.1 148.86 10.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.9 98.23 0.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 64.84 142.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.723 0.296 . . . . 0.0 111.12 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 43' ' ' LYS . 11.2 tt0 -121.7 114.72 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' GLU . 36.8 mttm -34.68 115.7 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -61.95 125.79 25.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 mm -94.85 146.97 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.4 mm -123.38 133.91 67.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -110.3 121.52 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.7 t -50.1 123.67 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -47.86 141.51 7.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.536 0.684 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.0 Cg_endo -69.77 -41.8 3.95 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.737 2.292 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.4 HG22 ' NH1' ' A' ' 100' ' ' ARG . 50.0 p -52.93 -34.84 57.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 37.4 t -71.56 137.04 83.29 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' LEU . 53.9 Cg_endo -69.78 -51.2 0.4 Allowed 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.662 2.241 . . . . 0.0 112.332 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 53' ' ' PRO . 97.0 mt -37.02 -38.6 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -41.29 -50.88 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -50.04 -44.8 51.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -62.16 128.54 91.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.98 61.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.36 -42.34 2.72 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 86.1 m -55.99 107.88 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 111.119 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -121.53 165.93 14.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.2 t -78.6 106.63 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 67.2 t80 -46.07 119.25 2.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 6.2 mt-10 51.06 -142.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -113.98 42.45 2.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 125' ' ' PHE . 42.2 m-85 -87.37 81.9 7.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -162.04 115.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.5 p -144.09 149.02 35.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.3 m -102.27 132.08 48.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.3 mt -114.99 140.0 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -115.5 148.42 39.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.459 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 48.1 tt0 -141.67 107.62 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 p -116.18 155.08 28.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -150.3 144.79 25.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.451 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 7.3 tp -75.59 51.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -136.56 110.04 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 p30 42.65 40.43 2.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 47.76 54.99 9.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.439 ' ND2' ' HE2' ' A' ' 81' ' ' LYS . 11.0 t30 -84.5 112.31 20.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -128.85 141.03 51.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.439 ' HE2' ' ND2' ' A' ' 79' ' ' ASN . 35.5 mttm -143.46 170.11 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -139.2 142.22 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -127.88 132.79 49.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.954 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 79.7 mt -124.29 135.79 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.533 HG22 ' CE2' ' A' ' 125' ' ' PHE . 65.2 mt -135.48 110.94 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -128.52 147.72 50.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.9 tt -109.27 111.13 22.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.5 mt -99.9 151.94 20.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.555 ' HB2' ' CE2' ' A' ' 95' ' ' PHE . 20.7 tt0 -125.92 139.62 53.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -109.51 168.55 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.0 p -71.71 -13.86 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.546 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 13.8 t-20 -93.63 39.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 41.5 25.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 17.1 m-85 -119.99 118.67 31.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 89' ' ' GLN . 18.9 m-85 -91.96 167.26 12.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.3 m -142.13 124.37 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.2 m -87.75 103.46 15.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -86.06 123.49 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -121.66 133.69 54.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.4 ' NH1' HG22 ' A' ' 51' ' ' THR . 31.7 ttt180 -135.66 124.33 23.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.481 ' CH2' ' HB2' ' A' ' 111' ' ' LYS . 17.9 p90 -140.59 169.25 18.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 152.9 -127.73 2.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -113.8 148.61 36.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.42 110.48 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.17 25.91 5.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -160.94 164.58 31.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.366 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 108' ' ' GLY . 0.5 OUTLIER -65.05 -40.19 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.446 ' N ' ' CG1' ' A' ' 107' ' ' VAL . . . 64.56 -155.48 47.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -77.27 174.23 10.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.9 p -147.94 135.33 20.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.481 ' HB2' ' CH2' ' A' ' 101' ' ' TRP . 0.3 OUTLIER -139.53 153.09 47.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.454 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 12.6 tt -147.45 146.05 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -135.83 128.97 31.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -102.17 125.09 48.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -123.89 134.85 53.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 67.0 p -75.26 -42.55 54.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -88.6 149.04 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.555 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 24.7 tp -76.01 -50.38 15.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -54.05 -46.59 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -50.76 -47.02 59.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.99 97.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -60.66 -39.03 86.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 26.0 mtpp -59.54 -47.2 86.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.91 -44.7 63.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.536 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 1.8 t80 -58.65 -49.3 78.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -72.17 -55.32 7.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -40.88 -53.2 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.445 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 11.8 tppt? -53.86 -52.41 60.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -56.94 -53.57 56.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.0 ttp85 -61.17 -27.0 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -81.82 -28.67 33.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.565 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 35.2 mmtm -88.27 -27.49 21.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 43.5 p -109.32 -3.01 17.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt 49.96 41.08 22.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -153.68 141.52 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -66.27 137.48 56.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -60.93 -37.74 83.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.31 -42.46 88.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.588 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.4 mt-10 -87.77 36.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.7 ptt85 -59.29 -23.2 62.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -50.47 -48.1 56.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -97.17 38.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -58.36 104.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 87.0 t -87.92 130.55 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 89.3 p -98.65 100.05 11.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -76.29 149.81 82.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.631 2.22 . . . . 0.0 112.389 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 104.99 -36.74 4.2 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -64.03 -175.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.565 ' CE2' ' HD2' ' A' ' 132' ' ' LYS . 22.3 m-85 -81.35 141.75 33.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 8.9 p -105.6 166.51 10.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 39.7 tp -106.99 106.19 16.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.471 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -115.59 170.14 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' A' ' 155' ' ' VAL . 9.8 pt-20 -123.21 20.27 9.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 154' ' ' GLU . 3.2 p 47.69 179.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.453 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 65.8 mt-30 -124.9 97.18 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 179.913 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.1 p -105.1 140.85 37.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.814 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.1 m -121.59 108.86 14.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.39 150.32 5.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.2 p -178.16 121.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.2 t 58.17 157.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.49 -152.47 24.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.28 82.15 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 111.076 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -121.1 114.29 21.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -105.08 146.99 28.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.9 ttt-85 -98.75 145.64 26.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 46' ' ' ILE . 46.2 mm -123.42 143.17 37.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.084 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.406 HD11 ' CG ' ' A' ' 67' ' ' ASN . 19.3 mm -126.25 141.99 44.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -123.47 112.78 17.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.447 ' CG2' HG23 ' A' ' 62' ' ' VAL . 98.3 t -42.99 122.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -39.76 143.78 0.55 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.572 0.701 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.74 -41.79 3.99 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.338 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 p -54.87 -36.17 64.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.5 t -63.28 136.74 96.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.625 0.726 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -51.18 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.768 2.312 . . . . 0.0 112.299 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.1 mt -43.9 -35.94 2.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.1 t -40.99 -48.41 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 t -57.63 -45.91 84.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -58.09 127.76 80.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.58 33.24 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.382 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.04 -32.13 7.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.2 m -66.5 106.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.733 0.302 . . . . 0.0 111.138 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -117.52 175.52 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.447 HG23 ' CG2' ' A' ' 48' ' ' VAL . 93.4 t -93.11 112.81 26.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.572 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 69.6 t80 -49.18 123.22 6.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.572 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 8.9 mt-10 46.39 -142.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -109.36 40.19 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -85.86 84.76 7.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.406 ' CG ' HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -155.7 108.5 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.6 m -146.6 161.04 41.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -119.34 152.48 36.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.9 mt -122.34 144.92 48.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -132.4 155.29 48.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -155.38 105.07 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.5 p -101.28 152.0 21.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -147.45 141.33 25.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.5 tp -76.06 51.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -134.75 108.54 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m120 41.79 41.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 46.2 52.21 10.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -95.77 116.05 28.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.481 ' HB2' ' CG2' ' A' ' 104' ' ' VAL . 0.6 OUTLIER -130.69 141.6 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.474 ' N ' HG23 ' A' ' 104' ' ' VAL . 40.3 mtpt -132.94 169.76 16.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -148.06 171.44 15.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -150.48 130.08 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.407 HG21 ' N ' ' A' ' 85' ' ' ILE . 31.5 mt -111.51 137.75 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.561 HG23 ' CE2' ' A' ' 125' ' ' PHE . 75.3 mt -140.65 108.88 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -129.18 153.47 47.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.415 HD22 ' CB ' ' A' ' 63' ' ' TYR . 1.7 tt -115.09 113.85 24.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.2 mt -100.88 159.55 15.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -138.06 125.71 22.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -92.9 170.55 9.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t -66.76 -30.94 71.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.561 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 6.7 m120 -84.24 47.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 92' ' ' ASN . 1.5 ptm85 36.14 34.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 22.8 m-85 -117.22 116.66 27.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 21.2 m-85 -92.73 166.63 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.6 m -148.36 123.44 10.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.3 m -82.0 102.13 10.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -88.81 110.17 20.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -113.83 140.67 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.468 ' CZ ' HG22 ' A' ' 107' ' ' VAL . 11.5 ttm-85 -148.51 119.94 7.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 31.4 p90 -131.92 179.18 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.23 -148.81 20.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -91.06 138.22 31.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.481 ' CG2' ' HB2' ' A' ' 80' ' ' ASN . 93.1 t -61.31 92.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 142.42 -23.12 2.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -120.3 153.31 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.526 ' CG1' ' N ' ' A' ' 108' ' ' GLY . 0.8 OUTLIER -43.16 -44.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.526 ' N ' ' CG1' ' A' ' 107' ' ' VAL . . . 84.34 -155.43 31.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -87.26 170.48 11.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 63.0 p -131.32 139.03 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -153.54 121.58 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.2 tt -123.11 138.95 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -129.95 122.28 28.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -93.56 131.63 38.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -124.28 129.2 50.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 24.7 p -75.03 -24.63 58.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -105.67 144.23 32.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.554 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 25.7 tp -74.66 -50.63 16.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -51.33 -57.33 9.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.69 -48.13 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.5 -47.24 86.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -57.22 -46.03 83.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -57.6 -46.94 83.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.53 -55.68 16.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.561 ' CE2' HG23 ' A' ' 85' ' ' ILE . 4.8 t80 -48.43 -43.57 34.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -79.03 -35.01 43.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.1 OUTLIER -60.43 -53.2 60.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.6 tppt? -60.52 -52.28 65.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -57.97 -59.04 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.2 ttp85 -50.99 -27.28 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -87.03 -32.75 19.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -82.47 -15.12 53.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 44.6 p -124.49 -4.17 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 49.66 42.86 23.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -155.74 141.31 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -65.75 135.72 55.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -60.07 -38.47 82.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.21 -39.8 86.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.054 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.604 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 13.5 mt-10 -89.53 36.9 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 140' ' ' ARG . 3.2 ptm85 -59.98 -24.58 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -49.67 -48.31 49.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -97.03 40.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 61.4 t80 -59.65 104.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 79.7 t -95.92 116.96 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 66.9 p -85.61 99.57 11.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -73.62 151.44 89.24 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.54 0.686 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.71 13.59 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 99.37 -38.52 3.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -72.92 -177.86 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -80.9 163.89 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.0 p -115.24 166.37 11.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 37.1 tp -107.12 108.24 19.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.44 HD12 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -110.88 175.29 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.55 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 10.4 pt-20 -126.02 14.91 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.55 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 7.8 p 50.52 172.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.431 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 18.8 pt20 -128.86 121.15 27.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.3 m -141.58 167.53 21.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.818 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 80.1 p -135.28 170.33 16.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.64 -146.01 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t -86.13 117.89 25.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.369 . . . . 0.0 110.848 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.5 t -152.0 171.05 18.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.27 69.7 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.42 162.22 41.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.691 0.281 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -59.79 108.65 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -116.5 105.98 13.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -62.46 131.76 50.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.0 mm -131.34 140.82 47.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.9 mm -114.94 132.29 64.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -105.27 135.4 46.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' ASP . 49.5 t -65.56 112.4 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' VAL . 3.5 t70 -34.22 141.86 0.23 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.75 -42.41 3.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -52.61 -35.27 54.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.1 t -68.14 138.04 92.05 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -49.3 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.337 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 55' ' ' SER . 82.1 mt -43.49 -35.9 1.82 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 54' ' ' LEU . 12.9 t -37.28 -57.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.9 m -52.08 -46.5 65.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -58.17 126.66 78.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 143.07 49.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.621 2.214 . . . . 0.0 112.373 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.77 -43.21 1.99 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.1 m -59.62 101.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 0.0 111.189 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.94 170.03 8.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.6 t -82.37 102.26 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 87.4 t80 -42.91 112.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 6.1 mt-10 57.28 -145.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.24 40.01 2.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.424 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 28.5 m-85 -81.42 76.21 8.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.938 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 6.5 p-10 -151.42 112.13 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.7 p -137.21 137.9 39.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.1 m -99.05 134.81 41.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -119.71 143.79 47.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -119.85 151.26 39.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.453 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 16.2 tt0 -145.53 108.05 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 p -110.82 156.92 20.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -148.23 145.94 28.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.412 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 3.5 tp -75.49 52.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -135.18 109.01 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.6 m120 42.19 40.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 34.2 m120 45.99 55.02 7.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -94.17 118.35 31.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -124.57 136.96 54.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -125.85 174.27 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -144.39 164.86 29.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -148.11 127.79 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 85' ' ' ILE . 80.7 mt -120.3 135.35 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.187 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.534 HG21 ' CE2' ' A' ' 125' ' ' PHE . 80.3 mt -136.87 105.11 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.109 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -119.24 151.23 38.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 63' ' ' TYR . 1.8 tt -111.58 106.59 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.4 mt -96.02 151.84 19.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.486 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 40.7 tt0 -130.18 130.47 44.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -97.27 170.2 9.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.2 t -68.17 -31.4 70.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.538 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 21.5 m-80 -82.8 47.3 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.8 ptt-85 35.67 38.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.538 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 23.5 m-85 -124.55 117.55 24.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.491 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 16.7 m-85 -93.05 167.16 11.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.438 ' CG2' HD11 ' A' ' 112' ' ' ILE . 57.0 m -146.37 119.95 9.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.3 m -83.91 104.19 13.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 50.2 t-105 -89.22 109.44 20.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -106.09 136.73 45.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.1 ttp85 -140.87 124.7 17.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 16.2 p90 -144.92 172.71 12.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.42 -137.05 6.81 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -100.77 131.59 46.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.7 t -48.13 130.81 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 100.74 -44.19 1.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -90.8 176.01 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.7 t -79.21 -41.16 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.71 -149.55 43.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -79.52 162.13 25.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.9 p -134.46 119.45 18.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.58 127.22 38.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.438 HD11 ' CG2' ' A' ' 96' ' ' THR . 14.3 tt -122.6 144.72 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -131.21 119.5 21.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.427 ' CE1' HG22 ' A' ' 96' ' ' THR . 91.9 m-70 -94.8 124.47 38.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.825 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.57 ' CD1' ' OD1' ' A' ' 120' ' ' ASP . 75.8 m-85 -118.37 146.92 44.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.2 p -87.83 -36.14 17.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -98.42 166.42 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.491 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 15.3 tp -87.72 -53.91 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -53.31 -51.32 62.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.57 ' OD1' ' CD1' ' A' ' 115' ' ' PHE . 0.4 OUTLIER -43.76 -48.59 8.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.491 ' N ' ' OD1' ' A' ' 120' ' ' ASP . . . -62.95 -49.55 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -52.89 -43.21 66.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -53.6 -43.46 68.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.93 -44.83 46.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.534 ' CE2' HG21 ' A' ' 85' ' ' ILE . 7.1 t80 -56.08 -42.48 76.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -79.37 -36.51 39.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 1.2 tmmm? -62.52 -55.19 29.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.423 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 11.9 tppt? -56.11 -44.46 79.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.86 -51.84 65.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 135' ' ' ASN . 15.1 ttt-85 -65.84 -27.78 68.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -74.81 -28.06 60.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -94.76 -18.84 20.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 134' ' ' LYS . 43.0 p -120.8 10.74 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.182 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 133' ' ' THR . 47.6 mtpt 34.6 37.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' A' ' 130' ' ' ARG . 16.5 m-80 -138.95 164.99 28.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -96.44 132.18 42.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -53.96 -39.08 65.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.87 -43.25 79.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.583 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.1 mt-10 -91.97 39.53 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -63.43 -19.87 65.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.73 -50.83 67.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -92.27 36.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 32.6 t80 -58.16 118.5 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 71.5 t -99.82 130.06 49.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.3 p -98.9 103.45 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -79.15 150.92 75.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 108.78 2.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 107.38 -36.51 4.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.474 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -64.9 -179.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 20.4 m-85 -80.12 137.23 36.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 19.0 p -99.23 166.52 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.3 tt -109.04 116.53 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.479 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -120.35 172.87 6.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.466 ' O ' ' O ' ' A' ' 155' ' ' VAL . 13.3 pt-20 -124.96 22.11 8.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.467 HG11 ' N ' ' A' ' 156' ' ' GLN . 1.4 p 45.21 -176.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.467 ' N ' HG11 ' A' ' 155' ' ' VAL . 0.0 OUTLIER -137.93 114.78 10.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 156' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.3 p -167.04 101.2 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -118.74 156.09 29.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.74 71.82 0.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.1 p -133.72 117.15 16.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.9 t -146.08 -45.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -144.02 -132.93 2.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.525 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 62.05 125.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.299 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -125.05 115.77 21.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -92.9 131.92 37.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -85.32 150.2 24.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.6 mm -132.39 155.08 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.41 HG23 ' CG2' ' A' ' 62' ' ' VAL . 38.6 mm -128.42 138.36 54.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 mmm-85 -113.49 128.8 56.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.05 120.36 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -39.95 142.39 0.69 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.603 0.716 . . . . 0.0 110.873 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.3 Cg_endo -69.7 -33.46 16.79 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.9 p -60.06 -38.01 81.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.151 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.7 t -66.43 138.37 95.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.7 mt -43.93 -35.1 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 t -38.79 -50.67 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.3 m -58.97 -46.53 87.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -53.07 124.9 39.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 131.61 21.66 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.5 -37.69 3.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.0 m -65.15 107.83 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 111.12 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -123.84 154.58 39.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.41 ' CG2' HG23 ' A' ' 46' ' ' ILE . 84.0 t -68.82 110.84 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 74.0 t80 -49.5 122.25 6.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 7.9 mt-10 46.93 -143.65 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.66 40.13 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -83.23 78.1 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.437 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 5.1 t30 -153.94 102.11 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.4 p -124.57 148.02 48.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.5 m -108.43 134.43 51.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 150' ' ' TYR . 23.3 mt -121.83 132.27 54.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -112.29 151.12 30.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -152.24 107.47 3.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 p -117.22 157.34 26.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -141.33 159.0 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 17.4 tt -83.73 53.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -140.01 111.22 7.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.4 m120 42.89 40.48 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.0 t30 48.02 54.96 9.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.09 114.87 21.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -129.56 125.26 35.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -116.04 176.89 4.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -152.77 126.26 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -112.61 136.49 52.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.8 mt -129.35 133.58 65.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.447 HG22 ' CD2' ' A' ' 125' ' ' PHE . 71.6 mt -136.36 108.89 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -125.53 154.41 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.2 tt -113.24 109.41 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.1 mt -94.85 163.29 13.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.594 ' OE1' ' CE2' ' A' ' 95' ' ' PHE . 4.5 tp60 -138.5 118.92 13.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -89.08 167.23 13.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -64.08 -29.13 70.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.567 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 44.1 m-20 -85.64 49.28 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 31.59 37.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.3 m-85 -118.77 119.65 35.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.594 ' CE2' ' OE1' ' A' ' 89' ' ' GLN . 21.8 m-85 -91.8 161.06 15.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.432 ' CG2' ' CG1' ' A' ' 112' ' ' ILE . 97.2 m -143.19 124.86 14.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 18.9 m -87.13 101.48 13.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -87.47 115.75 25.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -120.57 118.55 30.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.5 ttp85 -121.18 125.04 46.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 15.4 p90 -142.13 171.31 14.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.91 -135.6 5.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -103.26 129.0 50.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 83.9 t -47.08 136.95 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 96.27 -43.68 2.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -95.27 168.51 10.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.889 0.376 . . . . 0.0 110.825 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 84.7 t -67.14 -44.89 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.03 -149.24 35.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -80.8 169.36 17.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 88.7 p -142.72 120.39 11.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.52 119.73 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.432 ' CG1' ' CG2' ' A' ' 96' ' ' THR . 14.4 tt -120.76 138.83 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.162 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -129.59 139.07 51.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -110.1 121.55 45.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -115.21 122.84 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.5 p -65.16 -40.26 94.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -88.78 153.53 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.566 HD12 ' CE2' ' A' ' 95' ' ' PHE . 19.9 tp -79.98 -53.49 6.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -54.04 -49.87 68.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 120' ' ' ASP . 9.9 t0 -46.56 -46.6 19.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.15 -43.58 91.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -57.71 -44.31 85.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 20.4 mtpt -55.03 -40.79 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 124' ' ' ASP . 13.8 t0 -71.15 -37.49 72.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.447 ' CD2' HG22 ' A' ' 85' ' ' ILE . 4.6 t80 -67.84 -42.99 80.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -79.58 -39.21 32.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -62.81 -56.99 12.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 13.5 tppt? -57.97 -45.26 87.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -62.54 -57.99 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 134' ' ' LYS . 19.5 ttp180 -59.92 -29.16 68.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -77.88 -30.46 50.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.418 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 36.3 mmtm -84.47 -24.79 29.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 60.0 p -113.16 -6.01 13.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 130' ' ' ARG . 28.2 mtpt 54.47 35.82 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.891 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -144.21 169.53 17.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -88.24 146.0 25.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -72.29 -38.28 68.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.39 69.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.549 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 23.8 mt-10 -88.71 28.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -56.44 -24.97 48.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -48.34 80.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.549 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.7 p-80 -110.62 37.23 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 6.3 t80 -48.72 126.1 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 82.9 t -96.82 139.7 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 17.7 t -112.45 148.02 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -126.73 150.03 70.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.523 0.678 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 110.2 2.48 Favored 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.701 2.268 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 112.05 -36.68 4.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -77.87 -174.93 3.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.318 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.418 ' CD1' ' HB3' ' A' ' 70' ' ' LEU . 11.6 m-85 -76.01 161.11 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.0 p -123.28 157.7 32.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -97.52 108.37 21.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.457 HD11 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -116.54 171.92 5.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.536 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 10.5 pt-20 -119.45 15.07 12.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.536 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 6.1 p 50.39 173.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.421 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 16.8 pt20 -124.73 132.97 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.941 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -168.22 177.09 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.3 t -143.16 142.17 31.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.5 130.82 1.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -155.6 131.84 10.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.2 p -164.08 139.07 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.93 109.6 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.28 126.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.728 0.299 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -111.06 121.48 45.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -107.1 126.19 52.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -51.77 147.96 6.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.457 HG23 ' N ' ' A' ' 46' ' ' ILE . 19.6 mm -138.34 153.52 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.457 ' N ' HG23 ' A' ' 45' ' ' ILE . 12.8 mm -129.68 137.55 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 mmt-85 -108.0 116.28 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.47 HG11 ' CB ' ' A' ' 55' ' ' SER . 71.9 t -46.37 114.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -34.83 142.67 0.24 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.723 . . . . 0.0 110.828 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.9 Cg_endo -69.78 -45.11 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.0 p -54.69 -25.3 26.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.553 ' HA ' ' CH2' ' A' ' 98' ' ' TRP . 1.2 t -75.0 132.53 76.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.703 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.41 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.7 mt -44.71 -25.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.47 ' CB ' HG11 ' A' ' 48' ' ' VAL . 39.1 p -48.33 -48.62 36.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.9 p -55.12 -45.54 75.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -55.48 124.89 57.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 131.49 21.31 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.66 2.24 . . . . 0.0 112.298 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.3 -36.61 4.29 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.9 m -60.24 97.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 111.134 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -110.78 144.03 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.456 HG22 ' CG2' ' A' ' 48' ' ' VAL . 61.4 t -61.8 102.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 57.8 t80 -35.26 131.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.57 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 16.1 mt-10 34.37 -144.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -108.76 37.95 2.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -82.55 77.29 9.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.419 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 18.5 p-10 -149.82 107.05 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.4 p -131.31 142.22 50.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.7 m -103.08 133.44 48.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 mt -118.18 145.11 45.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -123.56 154.26 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -147.46 110.13 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.3 p -111.91 157.49 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -149.91 146.44 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.415 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 2.6 tp -75.65 52.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -135.3 109.58 8.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 3.4 m120 41.99 40.67 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 77' ' ' ASN . 1.3 p-10 45.91 53.18 9.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -92.23 116.56 29.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.404 ' C ' HG23 ' A' ' 104' ' ' VAL . 47.1 m-20 -120.72 143.04 48.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -130.87 170.41 14.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -150.27 134.71 17.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.518 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 2.0 t80 -116.74 128.31 55.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.8 mt -112.87 142.91 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.549 HG21 ' CE2' ' A' ' 125' ' ' PHE . 62.8 mt -143.48 115.75 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -137.28 143.81 42.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.5 tt -105.0 112.06 25.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 36.1 mt -94.27 163.46 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -144.28 125.11 14.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -98.09 167.48 10.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 t -65.04 -23.49 67.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.566 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 11.4 m120 -86.9 46.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 31.6 36.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.1 m-85 -119.68 116.64 26.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 42.4 m-85 -91.4 162.16 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.4 m -144.72 126.57 15.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.9 m -82.14 105.85 13.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.553 ' CH2' ' HA ' ' A' ' 52' ' ' CYS . 58.3 t-105 -86.08 108.73 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -113.42 140.59 47.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 107' ' ' VAL . 19.0 ttm-85 -149.5 136.37 19.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 18.2 p90 -148.89 171.06 16.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.07 -154.65 25.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -92.45 137.32 32.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.404 HG23 ' C ' ' A' ' 80' ' ' ASN . 90.1 t -55.78 135.21 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.48 -41.58 2.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -98.33 154.1 18.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.449 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 52.6 t -48.68 -48.75 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.0 -151.93 32.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.447 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 12.7 mt-30 -90.61 178.94 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.7 p -150.31 145.03 25.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -151.74 121.48 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.3 tt -121.84 133.12 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -127.65 120.4 27.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -89.88 136.6 32.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -126.2 140.41 52.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.1 p -84.36 -24.87 29.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -105.63 148.24 27.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.532 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 28.0 tp -75.1 -55.01 6.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -49.18 -55.83 11.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -42.36 -46.34 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.98 -46.19 85.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -56.78 -44.36 81.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 19.1 mtpt -58.52 -47.74 83.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -64.03 -38.44 91.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.549 ' CE2' HG21 ' A' ' 85' ' ' ILE . 7.7 t80 -66.59 -62.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -58.98 -49.28 78.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -52.73 -54.53 32.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.41 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.0 tppt? -55.52 -49.84 71.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -56.42 -49.76 73.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 49.7 ttp85 -68.33 -29.63 68.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.03 -22.17 59.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.475 ' HD2' ' CE1' ' A' ' 150' ' ' TYR . 60.6 mmtt -102.08 -24.61 13.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.527 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 64.3 p -114.33 10.66 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 133' ' ' THR . 15.6 mtpp 35.22 39.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -145.57 158.2 43.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -88.85 131.41 35.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -52.35 -36.55 53.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.19 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.459 ' HB3' ' NE2' ' A' ' 142' ' ' HIS . 15.0 mt-10 -85.58 30.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -57.72 -11.43 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -62.99 -47.17 84.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.459 ' NE2' ' HB3' ' A' ' 139' ' ' GLU . 1.5 p80 -104.06 36.86 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.527 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 55.5 t80 -45.83 93.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 142' ' ' HIS . 56.9 t -80.1 102.62 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.0 p -83.69 116.42 22.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -89.26 150.28 44.56 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.622 0.725 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 114.79 3.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.746 2.297 . . . . 0.0 112.365 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 114.51 -39.28 2.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -74.89 -175.8 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.518 ' CE2' ' HB2' ' A' ' 83' ' ' TYR . 27.6 m-85 -74.51 162.67 28.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.3 p -120.69 161.72 20.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.094 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 38.3 tp -102.12 110.27 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.479 HD12 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -117.26 169.3 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.82 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 155' ' ' VAL . 14.5 pt-20 -122.66 19.49 10.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 156' ' ' GLN . 1.5 p 45.09 -175.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.475 ' N ' HG12 ' A' ' 155' ' ' VAL . 76.0 mt-30 -144.75 86.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.922 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 p 49.91 178.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.905 0.383 . . . . 0.0 110.851 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.6 t -151.78 -47.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.82 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.02 -139.66 27.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 p -143.7 152.96 41.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.1 p -90.88 112.42 24.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 164.58 -64.79 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 173.96 135.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.312 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -68.06 129.35 39.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -91.9 128.33 37.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -35.47 144.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.7 mm -133.27 141.36 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.457 HD13 ' ND2' ' A' ' 67' ' ' ASN . 13.6 mm -128.74 138.04 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.53 111.62 18.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.447 HG21 ' CG2' ' A' ' 62' ' ' VAL . 88.9 t -39.18 126.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.9 t70 -46.04 142.42 3.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.9 Cg_endo -69.77 -34.93 13.57 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.402 HG23 ' NH1' ' A' ' 100' ' ' ARG . 38.8 p -57.27 -35.99 70.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.8 t -66.86 139.42 95.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.22 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.625 2.217 . . . . 0.0 112.36 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.9 mt -46.6 -33.97 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.1 t -39.13 -45.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 t -58.48 -46.95 85.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -54.53 126.08 54.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.756 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.36 42.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.48 -38.84 2.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.7 m -56.82 113.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.699 0.285 . . . . 0.0 111.13 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -119.31 166.59 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.447 ' CG2' HG21 ' A' ' 48' ' ' VAL . 70.3 t -84.51 102.04 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.54 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 71.4 t80 -34.47 127.05 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.54 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 13.3 mt-10 35.24 -147.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -97.8 31.57 2.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.502 ' CD2' HD11 ' A' ' 87' ' ' LEU . 4.6 m-85 -73.29 82.66 1.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.461 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.1 OUTLIER -159.92 88.91 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.3 p -115.73 142.2 47.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.1 m -101.61 137.38 40.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.0 mt -124.16 130.72 53.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -111.14 152.08 27.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -149.32 105.24 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.403 HG21 ' CG ' ' A' ' 80' ' ' ASN . 13.0 p -107.08 157.94 17.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -146.95 145.93 29.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.6 tp -75.5 52.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -135.57 109.64 8.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 42.07 40.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.3 m120 46.16 54.92 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -93.38 116.66 29.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.403 ' CG ' HG21 ' A' ' 73' ' ' THR . 36.4 m-20 -123.5 132.48 53.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -117.96 174.02 6.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -150.14 133.11 16.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 150' ' ' TYR . 0.5 OUTLIER -119.78 119.47 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.6 mt -111.58 131.06 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.9 mt -130.73 105.3 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -122.15 146.51 47.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.502 HD11 ' CD2' ' A' ' 66' ' ' TYR . 2.0 tt -106.23 116.73 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.3 mt -101.68 163.52 12.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.546 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 22.3 tt0 -148.29 125.0 11.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 94' ' ' PHE . 4.4 p30 -94.5 170.39 9.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 m -74.56 -3.83 33.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.545 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 3.2 m120 -95.49 37.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 mtp-105 40.97 34.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.545 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 20.4 m-85 -131.01 121.9 25.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.556 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 26.2 m-85 -93.57 161.96 14.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.408 HG21 ' CD1' ' A' ' 112' ' ' ILE . 89.0 m -144.27 118.76 9.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.168 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.5 m -84.65 105.13 15.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -86.99 126.71 34.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -122.82 124.93 44.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.402 ' NH1' HG23 ' A' ' 51' ' ' THR . 27.5 ttt180 -132.3 108.96 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.453 ' NE1' ' HB2' ' A' ' 109' ' ' GLN . 26.7 p90 -123.1 161.97 23.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.28 -167.58 31.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -73.88 136.53 43.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.5 t -53.0 117.58 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 115.93 -39.38 2.75 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -92.16 173.61 7.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.7 t -75.24 -42.7 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.3 -165.77 50.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.453 ' HB2' ' NE1' ' A' ' 101' ' ' TRP . 24.1 mt-30 -70.8 158.71 35.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.0 p -120.93 119.05 31.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -135.71 122.32 20.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.408 ' CD1' HG21 ' A' ' 96' ' ' THR . 6.8 tt -124.28 150.34 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -139.39 132.62 29.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -112.37 122.76 48.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -115.27 136.59 52.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 29.9 p -76.85 -34.43 57.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -102.62 125.09 49.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.556 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 22.4 tp -47.77 -54.91 10.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -46.64 -62.16 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -40.83 -42.99 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.48 -44.11 92.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -58.47 -42.14 86.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 21.0 mtpp -55.9 -49.76 72.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -48.47 80.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.447 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 5.4 t80 -58.46 -61.14 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.31 -44.09 88.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -54.6 -54.9 35.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -56.97 -54.07 50.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -52.92 -57.09 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 134' ' ' LYS . 11.8 ttt-85 -62.81 -31.24 72.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -73.42 -25.32 60.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -97.19 -17.85 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.56 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 43.5 p -124.53 13.19 8.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 130' ' ' ARG . 37.5 mtpt 34.14 36.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 133' ' ' THR . 41.7 m-80 -137.41 163.84 30.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -96.68 130.9 43.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -51.74 -41.85 61.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.62 83.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.547 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 14.5 mt-10 -97.08 35.78 1.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.1 ptt85 -61.43 -16.78 50.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -59.47 -51.02 71.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -91.42 34.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 7.6 t80 -56.84 118.23 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 2.6 p -98.88 120.53 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.3 p -89.92 101.01 13.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -82.57 149.84 61.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.552 0.691 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 123.57 10.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 103.1 -43.06 1.74 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.409 ' NZ ' ' HD2' ' A' ' 134' ' ' LYS . 2.9 mmmm -72.44 -174.9 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 83' ' ' TYR . 16.5 m-85 -73.2 176.09 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.2 p -135.76 157.07 47.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -95.58 114.03 25.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.445 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -125.38 174.19 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 155' ' ' VAL . 11.2 pt-20 -123.62 22.97 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.471 HG11 ' N ' ' A' ' 156' ' ' GLN . 1.4 p 44.85 -175.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.471 ' N ' HG11 ' A' ' 155' ' ' VAL . 56.8 mt-30 -126.93 104.02 7.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.932 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 p -150.99 159.94 44.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.9 m -42.12 151.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.25 -65.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -81.02 95.41 6.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.5 m 61.86 145.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.34 -176.38 33.75 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.97 137.92 50.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.726 0.298 . . . . 0.0 111.08 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -52.14 107.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -81.05 143.32 32.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -53.0 166.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.4 mm -131.19 140.35 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.9 mm -116.74 157.1 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.75 118.0 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 63.5 t -49.72 112.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -38.17 136.8 0.8 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.571 0.701 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -23.99 29.89 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.254 . . . . 0.0 112.35 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.3 p -69.94 -29.28 66.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.66 132.74 92.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.14 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.71 2.274 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.19 -10.76 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.5 m -61.59 -47.08 87.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.3 t -53.08 -42.29 65.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -57.95 130.86 83.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.594 0.712 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 130.61 19.73 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.57 -36.85 4.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.1 m -59.71 104.63 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 0.0 111.153 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -120.76 177.42 5.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.1 t -91.13 116.62 32.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 49.0 t80 -55.95 114.5 1.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.564 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 9.8 mt-10 54.84 -142.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -107.28 38.01 2.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -79.47 77.37 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -154.85 104.24 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.5 p -128.67 134.35 48.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.9 m -96.24 132.79 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.9 mt -117.85 142.94 46.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -119.07 157.08 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -155.39 110.42 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -124.14 152.92 42.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -141.19 159.18 42.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.491 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 15.4 tt -82.49 53.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.57 111.69 7.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 m120 42.87 40.51 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 46.98 53.86 9.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -77.26 113.46 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -122.9 120.84 34.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -118.39 179.14 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -157.91 131.43 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.553 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 1.7 t80 -118.4 123.17 44.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 79.5 mt -114.13 140.64 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.472 HG23 ' CD2' ' A' ' 125' ' ' PHE . 81.0 mt -142.67 109.0 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -124.38 156.7 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.541 HD23 ' CD2' ' A' ' 63' ' ' TYR . 1.9 tt -114.46 107.18 15.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 23.2 mt -93.11 154.24 18.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -132.12 117.88 18.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -85.58 170.08 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 m -65.3 -30.54 71.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.559 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 31.5 m-80 -83.4 46.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 92' ' ' ASN . 9.9 ptm180 35.04 34.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.0 m-85 -115.0 118.1 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' A' ' 118' ' ' LEU . 6.7 m-85 -90.82 156.61 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.9 m -143.95 118.54 9.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.94 105.85 14.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 27.3 t-105 -85.98 124.05 32.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -120.55 140.55 51.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -148.28 111.71 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 33.7 p90 -130.44 165.27 22.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.33 -138.24 6.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -91.39 128.74 37.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 64.8 t -49.96 124.27 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.47 -42.82 1.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -93.8 170.91 9.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.1 t -69.17 -39.19 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.03 -156.67 53.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.551 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -59.67 174.18 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.8 p -144.12 120.36 10.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.52 132.63 23.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.6 tt -131.63 137.78 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.486 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 17.7 m-80 -123.54 120.65 33.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -102.01 116.87 33.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 113' ' ' ASN . 80.1 m-85 -109.44 128.59 55.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 16.8 p -69.66 -44.4 70.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -90.75 149.78 21.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.526 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 36.5 tp -68.18 -55.49 12.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -51.62 -46.96 63.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.01 -43.91 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.62 -47.95 73.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -54.81 -42.79 72.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -56.53 -44.7 81.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -67.45 -48.88 65.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.472 ' CD2' HG23 ' A' ' 85' ' ' ILE . 5.0 t80 -57.59 -54.67 44.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.82 -50.73 71.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 2.4 tmmm? -48.07 -57.32 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.459 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -53.2 -56.04 19.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.961 179.807 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -50.61 -59.63 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 134' ' ' LYS . 37.9 ttt180 -58.81 -31.97 68.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -71.71 -28.99 64.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -95.56 -20.17 19.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.493 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 46.8 p -117.02 9.68 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 130' ' ' ARG . 37.1 mtpt 35.28 38.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 144' ' ' VAL . 3.4 m-80 -143.61 161.55 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -84.1 139.05 32.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -66.91 -33.99 76.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.16 -43.64 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.534 ' HB2' ' CE1' ' A' ' 142' ' ' HIS . 9.3 mt-10 -90.28 35.69 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -55.96 -12.89 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.8 -42.45 99.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -102.08 39.18 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.493 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 60.9 t80 -49.56 92.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.474 ' O ' ' ND2' ' A' ' 135' ' ' ASN . 46.8 t -84.61 107.26 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 t -86.3 150.27 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -126.53 152.15 73.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.587 0.708 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 112.49 3.09 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.306 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 116.4 -31.23 6.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -85.17 -176.29 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.327 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.553 ' CE2' ' HB2' ' A' ' 83' ' ' TYR . 20.2 m-85 -79.07 160.12 27.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.3 p -117.82 166.49 12.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 35.8 tp -106.35 113.47 27.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.461 HD11 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -119.43 173.87 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 155' ' ' VAL . 12.8 pt-20 -126.41 18.89 7.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 156' ' ' GLN . 1.5 p 44.9 -174.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.474 ' N ' HG13 ' A' ' 155' ' ' VAL . 20.9 mt-30 -141.13 84.08 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.914 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.6 p -168.91 157.98 8.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.832 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.4 p -172.32 138.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.49 -101.3 0.87 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.7 p -156.25 118.17 3.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.374 . . . . 0.0 110.891 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -117.84 -56.01 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 159.51 81.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.67 131.38 5.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -136.06 134.12 38.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -92.42 115.46 28.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 44' ' ' ARG . 13.0 ttm105 -56.0 134.66 52.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.0 mm -121.86 139.74 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 47' ' ' ARG . 28.9 mm -118.65 144.78 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.422 ' N ' HG22 ' A' ' 46' ' ' ILE . 26.1 mmt85 -130.74 112.49 13.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.1 t -43.01 116.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.1 t70 -40.99 142.64 0.82 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.583 0.706 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.4 Cg_endo -69.79 -44.86 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.5 p -55.01 -28.93 55.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.5 t -68.06 135.94 91.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.728 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.9 mt -42.52 -36.94 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 p -41.29 -45.83 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.4 m -55.77 -47.1 77.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -58.36 127.1 80.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.53 28.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.75 -30.09 11.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 92.4 m -61.98 110.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 111.093 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -126.6 152.78 46.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.1 t -69.0 113.99 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 49.8 t80 -53.04 112.78 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 8.5 mt-10 58.81 -141.39 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -109.17 43.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -88.31 80.99 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -162.29 121.55 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.2 m -161.25 156.07 23.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.6 m -106.11 144.77 32.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.9 mt -121.86 142.11 50.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -124.73 144.42 50.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.461 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 6.2 tp60 -146.33 113.62 6.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.6 p -117.32 157.33 26.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -149.1 148.1 29.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.9 tt -75.56 51.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.138 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -134.05 108.92 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 42.4 41.1 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 48.82 54.98 9.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.429 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 4.9 t-20 -82.64 112.41 19.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 79' ' ' ASN . 2.6 m-20 -131.64 123.88 28.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -132.77 172.06 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -139.6 151.63 46.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -133.59 129.94 37.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.5 mt -115.57 140.53 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.565 HG21 ' CD2' ' A' ' 125' ' ' PHE . 31.1 mt -142.47 109.42 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -130.14 145.31 51.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.513 HD23 ' CD2' ' A' ' 63' ' ' TYR . 1.7 tt -105.31 115.66 30.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 23.9 mt -106.07 161.61 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.501 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 3.5 tm0? -144.9 129.13 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -96.03 171.35 8.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 t -83.79 28.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -122.87 23.57 9.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 59.61 25.0 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -127.24 131.81 50.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CE2' HD11 ' A' ' 118' ' ' LEU . 53.1 m-85 -101.12 154.16 18.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.7 m -134.08 127.49 32.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.14 111.28 21.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -89.69 119.67 30.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -122.13 149.39 43.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 107' ' ' VAL . 14.6 ttm-85 -154.88 139.72 17.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 33.9 p90 -148.78 176.43 10.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.15 -166.57 27.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -76.64 137.65 39.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.918 0.389 . . . . 0.0 110.825 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.421 HG21 ' C ' ' A' ' 80' ' ' ASN . 71.5 t -56.22 124.64 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.03 -42.32 1.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -94.54 168.33 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.442 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 22.6 t -67.9 -47.2 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.57 -150.36 36.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.427 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 9.2 mm100 -87.55 -176.22 5.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 79.7 p -155.42 144.52 20.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -150.56 145.29 25.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.4 tt -137.42 137.16 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.138 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -122.73 130.88 53.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -103.32 132.97 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -125.13 141.63 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 28.6 p -78.69 -40.25 34.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -96.57 148.0 23.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 95' ' ' PHE . 15.6 tp -70.91 -52.29 20.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -51.18 -52.14 47.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -45.33 -43.95 11.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.49 -48.62 71.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -54.65 -43.94 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -55.67 -50.19 70.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.12 -44.67 96.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.565 ' CD2' HG21 ' A' ' 85' ' ' ILE . 3.9 t80 -59.92 -58.82 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -62.33 -39.41 92.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -56.26 -54.71 42.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.468 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 11.7 tppt? -58.22 -53.87 53.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -57.3 -64.8 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -52.51 -16.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 127' ' ' LYS . 7.7 mm-40 -91.02 -26.86 18.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.497 ' HD2' ' CD1' ' A' ' 150' ' ' TYR . 41.2 mmtt -95.73 -19.77 19.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.463 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 44.9 p -115.64 -6.95 12.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt 51.3 39.35 23.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -150.14 141.42 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -63.25 139.01 58.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -64.87 -33.81 76.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.25 -38.08 68.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.598 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.8 mt-10 -92.11 35.23 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.4 ptt85 -59.28 -20.93 58.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -53.2 -45.95 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -98.78 40.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.463 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 60.2 t80 -57.36 111.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.467 ' O ' ' CD2' ' A' ' 146' ' ' HIS . 89.9 t -98.28 109.9 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 84.5 p -79.28 99.46 7.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 144' ' ' VAL . 8.8 m-70 -81.89 142.66 48.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.584 0.707 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.23 4.0 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.242 . . . . 0.0 112.367 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 119.44 -39.03 2.62 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -83.04 -179.25 7.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.497 ' CD1' ' HD2' ' A' ' 132' ' ' LYS . 30.2 m-85 -72.97 160.47 32.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 17.4 p -117.04 160.69 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.171 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 35.0 tp -103.51 107.26 18.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.438 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -110.43 168.67 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.833 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.55 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 9.3 pt-20 -115.98 12.35 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.55 ' CG1' ' O ' ' A' ' 154' ' ' GLU . 7.6 p 50.49 172.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLN . . . . . 0.429 ' H ' ' CG2' ' A' ' 155' ' ' VAL . 25.1 mt-30 -103.97 104.06 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.3 mm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.786 0.327 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.681 HG21 HG11 ' A' ' 62' ' ' VAL . 41.2 mm -118.99 147.69 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -125.71 119.65 28.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.1 t -48.79 122.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 4.1 t70 -40.61 141.4 0.91 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.5 Cg_endo -69.75 -47.79 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.1 p -52.38 -26.72 13.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.5 t -73.59 138.92 77.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.28 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.63 ' HB3' HG21 ' A' ' 60' ' ' THR . 22.5 mt -46.67 -34.6 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.2 p -40.68 -48.28 2.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 t -62.55 -43.1 99.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -55.89 129.3 71.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.631 0.729 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.22 32.47 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.58 -32.24 7.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.63 HG21 ' HB3' ' A' ' 54' ' ' LEU . 98.0 m -63.65 109.61 1.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 0.0 111.155 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -123.04 166.84 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.681 HG11 HG21 ' A' ' 46' ' ' ILE . 80.5 t -83.53 106.25 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.581 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 82.9 t80 -44.51 119.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.581 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 15.3 mt-10 50.64 -144.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.23 30.61 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.562 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 30.7 m-85 -75.02 74.73 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.484 ' ND2' HD12 ' A' ' 46' ' ' ILE . 2.5 p-10 -146.02 103.98 3.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.0 p -133.23 136.34 45.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.0 m -100.98 136.04 41.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.3 mt -119.78 142.14 48.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -118.75 160.19 22.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -153.43 107.82 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -110.31 150.27 28.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -146.24 142.33 28.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 75' ' ' ILE . 10.0 tt -75.73 51.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -133.65 107.78 8.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 41.86 40.94 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 46.73 54.55 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -98.37 119.49 37.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.404 ' HB2' ' CG2' ' A' ' 104' ' ' VAL . 0.8 OUTLIER -131.19 145.74 52.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CA ' HG23 ' A' ' 104' ' ' VAL . 30.1 mttm -132.35 158.13 42.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -131.33 135.04 46.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -118.44 125.07 49.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 79.9 mt -119.27 133.16 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.427 HG22 ' CD2' ' A' ' 125' ' ' PHE . 58.4 mt -133.15 102.94 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -120.36 147.79 44.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.3 tt -107.3 115.4 30.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.0 mt -103.06 163.42 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -147.27 125.9 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -95.09 168.9 10.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t -72.4 -1.47 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.476 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 3.3 m120 -99.89 37.14 1.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 40.39 39.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 21.3 m-85 -133.15 123.07 24.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.875 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 40.1 m-85 -91.75 160.34 15.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.45 HG21 HD11 ' A' ' 112' ' ' ILE . 17.8 m -142.29 122.09 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 34.1 m -85.63 106.31 16.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -86.54 113.26 22.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -118.75 119.12 33.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -126.25 133.07 51.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.4 p90 -141.38 172.79 12.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.5 -137.74 5.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -110.47 128.19 55.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.404 ' CG2' ' HB2' ' A' ' 80' ' ' ASN . 45.0 t -49.55 115.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.47 -34.97 4.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -103.13 174.17 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 66.3 t -69.09 -45.82 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.23 -161.68 53.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -79.64 -176.02 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.5 p -155.34 121.97 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -127.73 140.62 51.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.45 HD11 HG21 ' A' ' 96' ' ' THR . 9.1 tt -135.55 140.62 44.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 96' ' ' THR . 23.1 m120 -129.32 135.47 48.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -107.07 126.93 53.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -120.66 132.1 54.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.2 p -73.69 -39.84 64.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -93.6 146.94 23.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.875 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 34.1 tp -69.93 -61.9 1.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -45.67 -49.7 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -45.31 -49.31 12.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.67 93.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -56.69 -47.78 79.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -51.97 -39.14 58.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.41 -40.82 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 66' ' ' TYR . 5.3 t80 -62.82 -46.91 85.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -74.06 -49.95 21.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 127' ' ' LYS . 0.2 OUTLIER -50.68 -55.79 14.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 13.7 tppt? -57.86 -57.4 12.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -47.36 -58.18 4.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 134' ' ' LYS . 11.1 ttt85 -60.19 -30.78 69.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.25 -22.89 61.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -99.88 -24.69 14.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.448 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 70.6 p -111.67 4.44 18.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 130' ' ' ARG . 15.2 mtpp 42.19 33.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 5.6 m-80 -140.31 167.87 21.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -95.41 136.32 35.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -59.12 -36.55 75.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.74 -42.13 74.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 13.9 mt-10 -91.61 35.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -60.46 -16.1 33.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.5 -44.76 89.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -98.77 35.85 1.77 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 41.5 t80 -54.96 107.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 99.6 t -90.06 120.72 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.4 p -89.34 110.18 21.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -89.9 148.33 39.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 111.66 2.88 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 109.37 -36.54 4.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -68.66 -177.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -82.59 141.83 32.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 19.3 p -100.21 166.04 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.2 tt -110.4 114.94 28.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.559 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -116.24 169.98 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.796 ' O ' HG12 ' A' ' 155' ' ' VAL . 10.3 pt-20 -119.13 14.78 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.9 p 50.43 172.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' GLN . . . . . 0.681 ' H ' HG22 ' A' ' 155' ' ' VAL . 34.2 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.1 mm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.836 0.35 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.74 HG21 HG11 ' A' ' 62' ' ' VAL . 46.0 mm -122.71 138.34 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -112.59 121.39 44.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.48 HG22 HG23 ' A' ' 62' ' ' VAL . 67.0 t -52.14 110.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 2.4 t70 -35.28 142.03 0.27 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.0 Cg_endo -69.76 -41.07 4.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.498 HG21 ' CD ' ' A' ' 100' ' ' ARG . 37.0 p -51.26 -27.53 9.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.3 t -78.45 136.83 59.82 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.604 0.716 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -47.61 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.734 ' HB3' HG21 ' A' ' 60' ' ' THR . 41.2 mt -45.23 -36.38 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -39.83 -47.17 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.4 t -62.03 -44.02 97.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -57.33 127.96 77.81 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.98 20.21 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.219 . . . . 0.0 112.36 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.55 -36.54 4.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.734 HG21 ' HB3' ' A' ' 54' ' ' LEU . 93.3 m -64.12 109.61 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 111.164 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -126.51 154.1 44.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.74 HG11 HG21 ' A' ' 46' ' ' ILE . 90.8 t -66.97 105.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 59.4 t80 -47.87 115.47 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.558 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 13.1 mt-10 55.02 -146.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.1 34.22 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.4 ' HD1' ' CE1' ' A' ' 125' ' ' PHE . 23.3 m-85 -77.9 79.39 4.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.2 t30 -152.49 101.1 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.9 p -125.19 141.92 51.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.7 m -102.19 133.21 47.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.7 mt -115.86 146.04 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -130.67 148.33 52.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.545 ' OE1' ' CZ ' ' A' ' 150' ' ' TYR . 13.2 pt20 -150.59 124.52 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.5 p -124.85 155.49 39.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -144.84 148.9 34.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 75' ' ' ILE . 9.0 tt -75.53 50.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.85 108.61 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 42.42 40.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 30.9 m120 48.08 54.98 9.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -81.51 112.38 18.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -132.66 127.32 34.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -129.92 178.85 6.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -145.32 135.58 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -119.63 123.7 44.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.6 mt -117.42 138.27 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.504 HG22 ' CD2' ' A' ' 125' ' ' PHE . 50.1 mt -137.42 110.5 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -126.82 146.25 50.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.543 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.4 tt -104.75 107.55 18.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.3 mt -94.12 151.69 19.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.451 ' C ' ' OE1' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -118.72 143.38 46.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.48 164.85 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 t -66.74 -21.4 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.44 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 2.4 m-80 -85.05 45.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' ASN . 8.0 ptm180 36.6 35.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.44 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 17.6 m-85 -121.71 -175.48 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.605 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 58.8 m-85 -148.93 164.65 33.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.522 HG21 HD11 ' A' ' 112' ' ' ILE . 48.6 m -142.83 123.28 13.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.4 m -83.97 103.99 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 -89.75 110.62 21.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -113.64 117.75 32.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.498 ' CD ' HG21 ' A' ' 51' ' ' THR . 36.8 ttp85 -123.16 111.96 17.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.544 ' CZ3' ' HB2' ' A' ' 111' ' ' LYS . 27.4 p90 -121.6 163.91 18.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.07 -171.99 33.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.437 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -72.01 139.87 48.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.0 t -55.9 115.04 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 116.58 -39.06 2.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.55 170.19 10.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.0 t -69.03 -46.97 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.33 -167.72 43.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -70.53 176.54 4.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.6 p -136.17 118.43 15.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.544 ' HB2' ' CZ3' ' A' ' 101' ' ' TRP . 9.5 tptp -129.95 134.6 47.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.522 HD11 HG21 ' A' ' 96' ' ' THR . 14.0 tt -141.83 134.38 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -128.56 135.34 49.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -106.17 121.11 43.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -115.76 134.44 55.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.421 ' HA ' ' CD1' ' A' ' 94' ' ' PHE . 54.5 p -81.13 -37.87 28.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 36.6 mtt-85 -91.88 113.6 25.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.605 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 18.3 tp -43.55 -53.23 5.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -49.25 -55.61 12.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.42 -48.23 5.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.02 -48.52 81.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -55.67 -47.74 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -55.56 -44.01 76.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -66.89 -36.57 82.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.504 ' CD2' HG22 ' A' ' 85' ' ' ILE . 6.4 t80 -67.41 -46.47 73.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -74.04 -38.61 63.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.28 -56.94 15.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -56.24 -49.93 72.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -56.4 -56.59 19.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 134' ' ' LYS . 13.9 ttt85 -60.93 -30.9 70.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.04 -24.8 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.577 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 23.6 mmtp -97.4 -26.83 14.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.459 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 72.4 p -112.37 10.55 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 130' ' ' ARG . 31.2 mtpt 35.04 39.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -143.74 166.7 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -94.0 138.92 31.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -61.62 -35.43 77.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.4 -31.79 71.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.577 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 31.6 mt-10 -86.29 24.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -51.73 -25.48 7.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -56.64 -50.29 72.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.4 p-80 -111.06 46.36 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 24.7 t80 -56.52 115.47 2.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 92.2 t -92.42 143.15 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.9 t -116.66 150.97 37.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -132.32 151.8 78.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.552 0.692 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 124.54 11.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 101.87 -40.19 2.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -76.82 -175.5 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.577 ' CD2' ' HD2' ' A' ' 132' ' ' LYS . 24.8 m-85 -80.37 157.16 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.5 p -117.93 166.6 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 41.8 tp -106.7 111.88 24.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.54 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -117.61 175.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.804 ' O ' HG12 ' A' ' 155' ' ' VAL . 13.9 pt-20 -124.47 17.98 8.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.804 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.5 p 50.45 172.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' GLN . . . . . 0.692 ' H ' HG22 ' A' ' 155' ' ' VAL . 18.7 pt20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.579 HG21 HH21 ' A' ' 47' ' ' ARG . 27.1 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.76 0.314 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.678 HG21 HG11 ' A' ' 62' ' ' VAL . 24.9 mm -114.91 159.61 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.579 HH21 HG21 ' A' ' 45' ' ' ILE . 8.9 mmt180 -141.72 116.95 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.497 ' CG2' HG23 ' A' ' 62' ' ' VAL . 94.8 t -43.58 107.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -34.61 142.51 0.23 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 110.878 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.4 Cg_endo -69.78 -36.22 11.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.331 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 p -55.76 -34.87 65.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.537 ' HA ' ' CH2' ' A' ' 98' ' ' TRP . 9.3 t -67.68 138.08 93.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.63 0.728 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.381 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.696 ' HB3' HG21 ' A' ' 60' ' ' THR . 96.1 mt -46.54 -34.84 5.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.5 p -40.16 -44.72 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.3 t -59.89 -44.81 94.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.821 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -58.03 130.04 82.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.06 41.94 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.7 -39.85 2.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.696 HG21 ' HB3' ' A' ' 54' ' ' LEU . 89.5 m -57.98 104.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.716 0.293 . . . . 0.0 111.146 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -117.89 167.63 11.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.678 HG11 HG21 ' A' ' 46' ' ' ILE . 91.2 t -84.2 102.27 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 67.9 t80 -40.91 125.05 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.577 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 13.5 mt-10 41.4 -146.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -107.47 39.86 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.549 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 43.5 m-85 -84.59 78.89 9.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.487 HD22 HG23 ' A' ' 46' ' ' ILE . 1.6 t30 -157.32 106.54 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.3 p -133.2 143.16 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.5 m -100.98 135.78 41.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.0 mt -119.95 143.61 47.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -122.32 150.99 41.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -146.44 107.43 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.8 p -110.01 156.91 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -148.51 146.3 28.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 75' ' ' ILE . 10.0 tt -75.71 52.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -134.2 108.58 8.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 41.95 40.77 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 47.43 54.78 9.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -94.75 114.88 26.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -123.08 141.31 52.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' N ' HG23 ' A' ' 104' ' ' VAL . 18.3 mtpp -136.13 167.37 21.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.54 ' HE2' HD11 ' A' ' 84' ' ' ILE . 5.4 p90 -146.12 150.54 36.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -125.05 136.61 53.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.54 HD11 ' HE2' ' A' ' 82' ' ' PHE . 18.1 mt -120.05 140.35 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.625 HG22 ' CD2' ' A' ' 125' ' ' PHE . 55.5 mt -143.07 106.86 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -127.98 141.91 51.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 tt -103.95 109.55 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.0 mt -94.57 155.02 17.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.447 ' HG3' ' CE2' ' A' ' 95' ' ' PHE . 56.1 tt0 -127.85 131.55 49.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -100.14 170.73 8.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 66.5 m -71.63 -31.01 66.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.587 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 44.9 m-20 -85.49 49.07 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' ASN . 12.6 ptm180 34.59 35.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 22.4 m-85 -118.13 117.53 29.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.546 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 74.2 m-85 -94.11 159.67 15.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 113' ' ' ASN . 47.5 m -140.63 125.78 18.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 113' ' ' ASN . 8.7 m -82.26 102.57 11.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.537 ' CH2' ' HA ' ' A' ' 52' ' ' CYS . 39.3 t-105 -87.44 115.54 24.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -120.41 141.75 49.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.521 ' HB3' HD12 ' A' ' 84' ' ' ILE . 15.2 ttm-85 -146.8 135.61 22.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 21.6 p90 -148.35 179.17 7.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.46 -141.26 9.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -100.17 137.75 38.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 81' ' ' LYS . 99.0 t -59.76 112.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.67 -30.68 5.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -112.15 150.11 31.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.557 ' CG1' ' N ' ' A' ' 108' ' ' GLY . 1.4 p -41.78 -47.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.557 ' N ' ' CG1' ' A' ' 107' ' ' VAL . . . 82.39 -150.87 29.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.446 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.422 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 9.9 mm-40 -86.62 -174.8 5.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 66.3 p -150.3 139.87 21.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -153.47 124.75 7.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.0 tt -123.67 136.57 59.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.619 ' O ' HG23 ' A' ' 96' ' ' THR . 3.3 m-80 -122.18 136.8 54.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -107.3 133.63 51.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -133.74 133.17 41.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.5 p -78.67 -36.76 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -92.7 139.09 30.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.546 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 18.8 tp -64.73 -63.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -43.43 -52.55 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.25 -49.48 6.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.89 96.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -57.82 -45.24 86.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 38.0 mtpt -57.35 -45.16 84.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.84 -46.8 77.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.625 ' CD2' HG22 ' A' ' 85' ' ' ILE . 3.3 t80 -57.94 -53.67 55.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.2 -52.75 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -48.24 -56.14 8.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 14.3 tppt? -51.75 -45.65 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.413 ' CD2' ' N ' ' A' ' 130' ' ' ARG . 18.0 t80 -64.29 -66.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 134' ' ' LYS . 8.6 ttt-85 -49.3 -29.82 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -73.37 -31.52 63.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.563 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 40.4 mmtt -91.12 -22.62 20.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 82.6 p -113.83 6.08 16.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.168 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 130' ' ' ARG . 27.6 mtpp 39.2 39.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 3.9 m120 -144.86 163.26 34.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -91.06 134.05 34.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -56.52 -39.03 72.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.31 89.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.505 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 13.2 mt-10 -92.37 38.22 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 19.0 ptt-85 -63.18 -17.32 62.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.82 -47.2 80.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' HIS . . . . . 0.505 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -94.45 34.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 74.6 t80 -52.01 116.13 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 95.8 t -99.13 128.03 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.2 p -96.93 109.52 22.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -93.15 153.03 41.72 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 120.36 7.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 97.37 -40.85 2.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.74 177.73 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.563 ' CD2' ' HD2' ' A' ' 132' ' ' LYS . 16.5 m-85 -79.04 142.21 36.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.6 p -101.41 166.54 10.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 44.4 tp -109.29 109.71 20.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.526 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -115.9 168.61 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.802 ' O ' HG12 ' A' ' 155' ' ' VAL . 10.4 pt-20 -118.1 17.24 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.802 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.1 p 50.58 173.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' GLN . . . . . 0.692 ' H ' HG22 ' A' ' 155' ' ' VAL . 49.0 mt-30 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.1 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.771 0.319 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.471 HG21 HG11 ' A' ' 62' ' ' VAL . 48.3 mm -115.21 133.9 60.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -108.38 114.5 28.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.594 HG22 HG23 ' A' ' 62' ' ' VAL . 89.6 t -50.12 116.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -36.18 141.86 0.33 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.854 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.1 Cg_endo -69.8 -38.89 7.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.252 . . . . 0.0 112.361 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -56.38 -31.83 64.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.5 t -68.16 134.92 91.43 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.542 0.687 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -51.31 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' ASN . 53.6 mt -45.77 -33.42 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' LEU . 60.3 p -37.25 -42.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.4 t -66.28 -44.4 83.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' LEU . 47.3 m-20 -54.26 126.71 54.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.601 0.715 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 130.74 19.81 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.36 -34.15 5.87 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.1 m -59.47 104.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.738 0.304 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -117.93 157.55 26.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.616 HG22 HD23 ' A' ' 88' ' ' LEU . 94.4 t -80.79 109.56 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.565 ' HB3' HD22 ' A' ' 87' ' ' LEU . 63.9 t80 -45.39 119.6 2.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.54 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 9.2 mt-10 48.59 -144.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -105.67 44.35 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -87.79 78.85 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -157.3 105.66 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.4 m -139.78 164.08 30.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.6 m -118.4 146.61 44.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.501 ' HB3' ' CD1' ' A' ' 150' ' ' TYR . 50.9 mt -118.29 146.23 44.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -134.71 144.82 47.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.517 ' OE1' ' CE2' ' A' ' 150' ' ' TYR . 11.5 pt20 -151.79 125.45 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.5 p -125.38 158.21 34.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -149.52 148.57 29.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.544 HG23 ' O ' ' A' ' 75' ' ' ILE . 8.7 tt -75.52 51.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -134.6 108.84 8.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 42.59 41.14 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 m120 48.0 54.56 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.407 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 2.8 t-20 -81.27 112.66 18.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 79' ' ' ASN . 5.1 m-20 -133.42 123.38 25.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -132.88 174.84 9.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -143.9 159.28 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.416 ' HB3' HD12 ' A' ' 70' ' ' LEU . 2.1 t80 -142.5 124.08 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 89.3 mt -113.45 135.64 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 75.1 mt -137.88 108.32 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -121.74 158.28 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' A' ' 63' ' ' TYR . 1.4 tt -115.89 108.0 15.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.616 HD23 HG22 ' A' ' 62' ' ' VAL . 29.2 mt -95.65 157.42 15.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.557 ' HG3' ' CE2' ' A' ' 95' ' ' PHE . 22.1 tt0 -137.89 130.32 29.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -98.22 169.32 9.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.5 p -63.85 -32.73 74.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 6.3 m-20 -81.35 49.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 92' ' ' ASN . 1.3 ppt_? 32.13 36.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.3 m-85 -115.02 120.34 39.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.793 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 49.8 m-85 -92.89 160.81 14.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.8 m -147.24 120.58 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 5.5 m -86.12 109.44 18.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 49.6 t-105 -87.14 112.63 22.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -110.04 127.72 55.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -136.6 116.46 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -132.1 176.77 8.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.38 -124.22 1.98 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -119.31 156.54 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.0 t -70.24 121.73 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.78 29.97 9.41 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -160.29 154.72 23.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.4 t -57.47 -39.49 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.21 -171.36 36.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -59.25 173.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.943 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 m -142.15 118.93 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -136.3 124.57 23.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.6 tt -124.02 134.94 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -125.7 133.9 51.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -108.71 130.48 55.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -122.83 130.44 52.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.1 p -71.31 -41.95 69.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -92.42 145.93 24.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.793 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 30.4 tp -69.5 -59.55 2.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -45.01 -54.49 6.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -45.85 -47.35 15.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.26 -49.63 74.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -51.4 -46.95 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -53.98 -43.42 69.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.02 -37.92 86.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -69.15 -56.36 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -61.99 -38.75 89.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -63.62 -58.48 6.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 16.6 tppt? -60.13 -45.6 92.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -61.6 -48.43 80.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 134' ' ' LYS . 18.1 ttt-85 -67.94 -29.81 68.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.14 -22.04 60.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.451 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 69.2 mmtt -99.3 -27.54 13.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 65.7 p -108.67 -1.73 19.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 130' ' ' ARG . 16.8 mtpp 50.13 36.86 13.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 4.5 m-80 -148.51 162.04 40.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -86.02 135.65 33.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -59.19 -34.0 71.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.74 -32.23 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.488 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 15.9 mt-10 -85.11 27.48 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -53.37 -24.76 13.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.3 -49.97 72.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' HIS . . . . . 0.488 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.8 p-80 -108.48 50.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -71.7 112.57 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.482 HG13 ' NE2' ' A' ' 146' ' ' HIS . 7.6 p -90.78 132.91 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 31.3 p -99.39 99.23 10.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' HIS . . . . . 0.482 ' NE2' HG13 ' A' ' 144' ' ' VAL . 54.0 m-70 -80.33 149.44 68.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.571 0.701 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 131.12 20.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 0.0 112.358 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 92.55 -40.52 2.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -71.85 175.43 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.517 ' CE2' ' OE1' ' A' ' 72' ' ' GLN . 12.2 m-85 -74.01 137.45 43.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.4 p -101.72 166.46 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 38.7 tp -105.78 108.84 20.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.55 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -111.78 178.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.811 ' O ' HG12 ' A' ' 155' ' ' VAL . 9.1 pt-20 -130.87 16.01 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.3 p 50.71 172.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' GLN . . . . . 0.679 ' H ' HG22 ' A' ' 155' ' ' VAL . 75.7 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 46' ' ' ILE . 50.4 mm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.798 0.332 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.49 HG21 ' OE1' ' A' ' 86' ' ' GLN . 26.8 mm -122.02 143.68 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -113.99 111.92 22.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' ASP . 99.9 t -44.05 117.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -34.98 141.98 0.26 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.676 0.751 . . . . 0.0 110.805 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.3 Cg_endo -69.83 -31.46 20.19 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.731 2.288 . . . . 0.0 112.29 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.6 p -59.28 -38.19 79.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.152 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 38.3 t -67.67 136.93 92.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -50.03 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.618 ' CD1' HD11 ' A' ' 112' ' ' ILE . 63.5 mt -43.19 -34.99 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.1 p -40.81 -48.58 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.6 m -59.22 -45.59 90.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -55.39 128.35 67.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.613 0.721 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 134.5 28.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.371 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.99 -33.72 6.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.58 HG21 ' HB3' ' A' ' 54' ' ' LEU . 95.7 m -66.68 93.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 111.133 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -109.33 178.28 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.406 HG23 HG22 ' A' ' 48' ' ' VAL . 41.1 t -95.49 108.94 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 29.9 t80 -53.9 99.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 5.3 mt-10 72.48 -145.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.436 ' OD2' HD11 ' A' ' 46' ' ' ILE . 9.2 t70 -113.33 40.05 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.402 ' HD1' ' CE1' ' A' ' 125' ' ' PHE . 15.2 m-85 -80.42 75.54 7.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.3 t30 -145.58 108.23 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.0 p -131.48 138.62 49.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.4 m -98.85 132.92 43.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.1 mt -117.6 134.11 55.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -112.87 155.97 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.431 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 6.6 tp60 -150.64 107.08 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.502 HG22 ' CG ' ' A' ' 80' ' ' ASN . 10.9 p -109.36 156.11 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -145.73 146.54 31.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 75' ' ' ILE . 8.4 tp -75.66 52.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -135.35 109.27 8.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 42.12 40.69 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.4 m120 46.02 54.96 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -94.86 118.66 32.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.502 ' CG ' HG22 ' A' ' 73' ' ' THR . 21.7 m-20 -123.14 137.48 54.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.446 ' CA ' HG23 ' A' ' 104' ' ' VAL . 62.3 mttt -126.7 172.09 10.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -140.93 171.29 14.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -160.35 117.81 2.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 27.7 mt -114.17 139.26 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.494 HG22 ' CD2' ' A' ' 125' ' ' PHE . 43.1 mt -137.79 109.71 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.49 ' OE1' HG21 ' A' ' 46' ' ' ILE . 13.3 mt-30 -118.49 149.7 40.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 63' ' ' TYR . 4.0 tt -103.3 108.08 19.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.5 mt -95.17 148.61 22.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.432 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 20.0 tt0 -131.74 115.71 16.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.17 168.33 18.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.3 t -75.77 -19.52 58.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.458 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 28.8 m-20 -91.15 43.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.2 mtt85 42.16 40.78 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.458 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 20.6 m-85 -132.02 116.3 16.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.981 ' CE2' HD13 ' A' ' 118' ' ' LEU . 16.0 m-85 -92.33 167.55 11.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 113' ' ' ASN . 63.3 m -147.46 122.1 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.5 m -88.76 106.55 18.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.505 ' CZ2' ' HB2' ' A' ' 100' ' ' ARG . 44.5 t-105 -86.43 120.76 28.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -123.08 108.62 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.505 ' HB2' ' CZ2' ' A' ' 98' ' ' TRP . 22.8 ttt180 -116.46 128.76 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.481 ' CH2' ' HB2' ' A' ' 111' ' ' LYS . 17.6 p90 -144.14 175.04 10.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.76 -153.68 24.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -82.94 128.87 34.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.471 HG23 ' C ' ' A' ' 80' ' ' ASN . 87.0 t -49.36 124.17 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.24 -41.13 2.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -102.04 143.82 31.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 89.7 t -43.84 -46.17 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.08 -144.38 33.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -83.93 155.74 22.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.3 p -126.59 131.03 51.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.481 ' HB2' ' CH2' ' A' ' 101' ' ' TRP . 28.1 tptt -136.89 121.99 19.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.618 HD11 ' CD1' ' A' ' 54' ' ' LEU . 15.3 tt -125.85 135.8 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.588 ' O ' HG23 ' A' ' 96' ' ' THR . 15.8 m120 -123.38 140.46 52.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -109.89 133.23 53.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -131.08 125.78 34.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.3 p -67.84 -39.78 83.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.6 mtp85 -90.72 170.34 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.981 HD13 ' CE2' ' A' ' 95' ' ' PHE . 21.7 tp -94.61 -49.42 5.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.413 ' C ' ' HE3' ' A' ' 123' ' ' LYS . 67.3 mt-10 -53.89 -60.07 3.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -41.52 -46.36 3.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.2 86.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -59.49 -44.53 93.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.413 ' HE3' ' C ' ' A' ' 119' ' ' GLU . 35.4 mttt -56.22 -42.35 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -48.5 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.551 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 1.6 t80 -54.28 -48.62 71.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.21 -57.82 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -39.53 -55.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.8 tppt? -52.23 -44.59 64.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 133' ' ' THR . 9.2 t80 -68.66 -62.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.42 ' N ' ' CD1' ' A' ' 129' ' ' PHE . 37.8 ttp85 -49.2 -24.57 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -85.21 -34.15 22.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -84.0 -18.95 35.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.477 HG21 ' CE2' ' A' ' 129' ' ' PHE . 68.3 p -115.59 -13.74 11.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 60.35 40.32 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.412 HD21 ' CG1' ' A' ' 144' ' ' VAL . 26.6 m-80 -154.63 145.45 22.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -72.0 135.17 46.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -55.19 -38.5 68.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.84 -41.0 79.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.621 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 12.1 mt-10 -89.09 36.6 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -60.35 -23.05 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -50.39 -52.01 41.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' HIS . . . . . 0.621 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.1 OUTLIER -90.7 36.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.598 ' CZ ' ' CB ' ' A' ' 152' ' ' LEU . 52.3 t80 -62.27 107.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.458 HG13 ' NE2' ' A' ' 146' ' ' HIS . 5.2 p -96.82 127.84 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 65.9 p -93.53 99.43 11.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' HIS . . . . . 0.458 ' NE2' HG13 ' A' ' 144' ' ' VAL . 70.5 m-70 -80.79 145.52 57.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.549 0.69 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 114.85 3.83 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.682 2.255 . . . . 0.0 112.373 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 115.38 -38.57 3.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -80.71 178.84 8.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.431 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 30.7 m-85 -75.03 149.94 39.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.5 p -108.01 164.7 12.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.598 ' CB ' ' CZ ' ' A' ' 143' ' ' PHE . 35.2 tp -106.78 108.69 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.595 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.88 172.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.802 ' O ' HG12 ' A' ' 155' ' ' VAL . 15.3 pt-20 -121.81 14.35 10.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.802 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.0 p 50.44 172.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' GLN . . . . . 0.686 ' H ' HG22 ' A' ' 155' ' ' VAL . 82.9 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.0 mm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.821 0.343 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.5 mm -120.17 139.26 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -113.32 122.97 49.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.459 HG11 ' HA ' ' A' ' 55' ' ' SER . 42.2 t -51.84 119.2 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -47.87 142.7 6.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.846 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.6 Cg_endo -69.71 -34.13 15.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.538 HG21 ' NE ' ' A' ' 100' ' ' ARG . 11.8 p -56.88 -39.7 74.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.5 t -66.11 137.35 95.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.619 0.723 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -50.88 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.638 2.225 . . . . 0.0 112.359 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.484 ' HB3' HG21 ' A' ' 60' ' ' THR . 73.8 mt -45.53 -34.84 3.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.459 ' HA ' HG11 ' A' ' 48' ' ' VAL . 6.3 t -39.45 -46.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.0 t -55.74 -47.55 76.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -56.46 130.66 76.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 141.18 44.68 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.351 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.38 -40.37 2.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.484 HG21 ' HB3' ' A' ' 54' ' ' LEU . 97.0 m -56.97 106.61 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.752 0.311 . . . . 0.0 111.134 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -123.32 158.58 30.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.546 HG22 HD23 ' A' ' 88' ' ' LEU . 94.1 t -74.06 102.65 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 76.4 t80 -36.96 124.36 0.89 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 18.4 mt-10 43.32 -146.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.06 41.58 1.45 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -83.05 70.46 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.2 t30 -146.94 100.49 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 p -121.1 141.19 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.9 m -101.59 135.57 42.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -120.71 140.71 51.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -119.25 151.75 37.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -150.1 106.4 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.3 p -115.34 155.42 27.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -148.86 148.21 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 75' ' ' ILE . 8.1 tt -75.55 51.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -134.85 108.82 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 42.44 40.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 m120 48.36 54.95 9.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -82.46 114.45 20.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.468 ' C ' HG23 ' A' ' 104' ' ' VAL . 9.0 m-20 -130.68 129.78 43.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.4 ' N ' HG23 ' A' ' 104' ' ' VAL . 35.8 mtmt -128.3 178.65 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -151.6 128.27 10.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -112.63 123.85 51.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.6 mt -118.32 131.14 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.0 mt -132.81 104.3 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -114.66 157.94 22.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.6 tt -120.68 103.55 9.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.546 HD23 HG22 ' A' ' 62' ' ' VAL . 13.4 mt -91.34 163.0 14.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -144.55 117.34 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.52 170.55 13.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.6 t -63.79 -26.02 68.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.57 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 3.3 m120 -85.47 47.3 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 31.98 36.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 22.0 m-85 -117.49 118.1 31.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 1.073 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 18.9 m-85 -91.94 165.04 13.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.829 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.412 HG21 HD11 ' A' ' 112' ' ' ILE . 68.6 m -150.03 120.91 7.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.64 104.51 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -86.62 116.73 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -116.33 132.18 56.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.538 ' NE ' HG21 ' A' ' 51' ' ' THR . 42.6 ttp85 -143.04 114.53 7.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 37.3 p90 -121.95 161.04 23.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 156.34 -173.99 34.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -69.57 136.7 51.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.468 HG23 ' C ' ' A' ' 80' ' ' ASN . 92.3 t -52.91 116.14 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 116.91 -39.46 2.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -91.42 170.03 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 100.0 t -71.23 -44.5 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.94 -157.87 41.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -81.1 169.47 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.6 p -130.43 125.32 34.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -137.92 113.93 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.412 HD11 HG21 ' A' ' 96' ' ' THR . 8.0 tt -116.65 136.28 54.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -125.94 125.12 42.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -98.38 139.27 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -135.08 134.5 40.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 19.8 p -80.31 -37.9 31.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.2 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -95.31 137.55 34.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.073 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 43.3 tp -60.55 -62.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -49.31 -42.56 41.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.48 -44.44 65.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.59 -42.09 74.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HE3' HD11 ' A' ' 118' ' ' LEU . 59.2 mttt -56.31 -46.21 79.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -53.35 -39.48 64.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.21 -50.05 15.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 5.3 t80 -53.12 -47.06 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -71.15 -53.15 15.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -43.15 -56.52 3.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.47 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -51.42 -45.88 62.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -62.84 -62.22 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 134' ' ' LYS . 13.9 ttt-85 -54.74 -29.93 55.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.16 -24.48 57.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.437 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 55.9 mmtt -99.84 -19.66 16.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 64.6 p -117.7 6.45 12.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 130' ' ' ARG . 23.8 mtpp 38.73 36.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -143.74 164.07 31.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -86.67 141.61 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -66.11 -36.4 83.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.17 -39.17 68.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.633 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 12.7 mt-10 -92.33 36.49 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -62.0 -17.5 57.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -56.8 -47.01 81.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' HIS . . . . . 0.633 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -95.84 36.56 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 152' ' ' LEU . 51.3 t80 -53.42 115.86 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 142' ' ' HIS . 84.9 t -106.39 114.37 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.9 t -81.48 144.34 31.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -125.75 149.48 65.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 113.24 3.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 112.5 -38.75 3.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -77.82 178.3 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.437 ' CD2' ' HD2' ' A' ' 132' ' ' LYS . 16.1 m-85 -78.29 151.83 32.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 9.9 p -107.29 166.38 10.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 143' ' ' PHE . 35.3 tp -109.93 108.17 18.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.531 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -113.74 169.81 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.792 ' O ' HG12 ' A' ' 155' ' ' VAL . 14.0 pt-20 -118.83 12.14 12.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.792 HG12 ' O ' ' A' ' 154' ' ' GLU . 8.1 p 50.36 172.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' GLN . . . . . 0.682 ' H ' HG22 ' A' ' 155' ' ' VAL . 11.1 pt20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.7 mm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.815 0.34 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.516 HG21 HG11 ' A' ' 62' ' ' VAL . 11.2 mm -122.22 157.96 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 47' ' ' ARG . 3.0 mmm180 -136.53 129.2 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' ASP . 87.2 t -55.65 115.89 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 3.3 t70 -36.87 142.09 0.37 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.3 Cg_endo -69.77 -42.95 2.95 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 p -53.65 -28.45 33.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -73.75 135.51 77.82 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -51.39 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.705 ' HB3' HG21 ' A' ' 60' ' ' THR . 45.8 mt -41.79 -36.08 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.8 t -40.56 -45.05 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.8 m -59.65 -48.71 80.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -54.12 129.67 58.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 133.04 24.69 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.652 2.235 . . . . 0.0 112.406 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.24 -36.6 4.29 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.705 HG21 ' HB3' ' A' ' 54' ' ' LEU . 37.9 m -65.73 111.6 3.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.71 0.291 . . . . 0.0 111.114 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -131.08 161.01 33.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.516 HG11 HG21 ' A' ' 46' ' ' ILE . 59.2 t -71.65 111.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 55.6 t80 -51.73 130.37 28.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.575 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 10.3 mt-10 37.69 -143.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -107.23 42.19 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -84.65 71.11 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 11.2 p-10 -147.43 102.97 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.2 p -125.02 137.47 54.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.4 m -98.99 130.76 45.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.4 mt -117.03 141.84 47.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -119.59 159.15 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 5.2 tp60 -155.01 105.02 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.0 p -111.41 157.51 20.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -148.91 147.0 28.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.686 HG23 ' O ' ' A' ' 75' ' ' ILE . 3.0 tp -75.6 51.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -136.09 109.71 8.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.2 m120 42.56 40.51 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 47.75 54.99 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -83.04 114.45 21.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -125.56 127.01 45.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -123.45 176.44 6.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -151.11 132.12 14.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -118.25 120.01 36.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.951 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.8 mt -111.79 135.35 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.575 HG22 ' CD2' ' A' ' 125' ' ' PHE . 74.9 mt -138.53 106.27 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -121.11 146.99 46.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 tt -103.76 111.97 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.7 mt -97.92 152.73 18.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.439 ' HG3' ' CE2' ' A' ' 95' ' ' PHE . 24.9 tt0 -131.07 115.61 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.47 169.38 17.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.4 m -76.15 -19.45 58.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.547 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 17.9 m-20 -91.63 45.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.435 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 15.4 mtp180 39.54 43.14 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 20.4 m-85 -134.72 119.0 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.796 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 39.8 m-85 -91.59 166.2 12.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 113' ' ' ASN . 9.2 m -145.9 122.0 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 49.4 m -85.44 103.1 14.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -86.43 115.66 24.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -123.31 121.26 35.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -131.6 117.85 19.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 28.7 p90 -127.27 165.11 20.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 152.86 -157.45 27.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -83.57 136.23 34.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.375 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.2 t -53.42 126.1 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 104.37 -40.39 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.34 138.43 34.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.847 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.4 t -40.09 -39.81 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.27 -151.56 45.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -82.68 154.9 24.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.935 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 65.0 p -122.94 126.22 46.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -139.58 118.07 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.6 tt -121.34 140.84 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 96' ' ' THR . 4.3 m120 -128.53 139.81 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -114.31 129.29 56.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -124.38 135.51 53.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.9 p -75.61 -42.93 50.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -92.01 148.92 21.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.796 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 36.0 tp -72.91 -54.15 9.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -50.55 -44.06 56.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -56.4 -44.14 79.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.64 92.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.626 ' HE3' HD11 ' A' ' 118' ' ' LEU . 63.4 mttt -60.76 -45.42 94.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -57.52 -42.8 83.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.84 -55.78 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.575 ' CD2' HG22 ' A' ' 85' ' ' ILE . 1.6 t80 -51.99 -47.42 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.24 -57.8 4.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.4 OUTLIER -40.34 -54.16 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.455 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 15.2 tppt? -52.28 -52.49 52.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 130' ' ' ARG . 2.9 t80 -59.32 -59.36 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 134' ' ' LYS . 38.9 ttp85 -51.28 -32.08 23.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -77.67 -30.08 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -86.78 -21.64 26.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.441 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 32.6 p -116.59 -2.23 12.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 130' ' ' ARG . 34.6 mtpt 49.0 40.39 16.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -152.2 145.18 24.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -69.95 139.73 52.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -63.33 -36.85 85.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.29 -39.98 74.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.617 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 12.3 mt-10 -91.38 37.67 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -61.5 -19.87 62.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -53.99 -45.25 71.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' HIS . . . . . 0.617 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -99.29 40.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.441 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 60.5 t80 -55.76 109.59 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 70.7 t -97.94 104.38 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.1 p -75.84 99.82 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -75.45 146.45 80.95 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.604 0.716 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 120.28 7.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.385 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 108.7 -41.41 2.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -74.03 -177.38 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.321 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 21.8 m-85 -72.62 175.73 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.3 p -130.15 163.82 25.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 51.3 tp -104.35 111.44 24.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.57 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -118.86 172.22 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.8 ' O ' HG12 ' A' ' 155' ' ' VAL . 14.8 pt-20 -120.75 17.05 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.8 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.5 p 50.37 172.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' GLN . . . . . 0.686 ' H ' HG22 ' A' ' 155' ' ' VAL . 46.7 mm-40 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.2 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.862 0.363 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.573 HG21 HG11 ' A' ' 62' ' ' VAL . 47.5 mm -121.56 136.83 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -112.93 130.42 56.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 58.7 t -62.24 111.92 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -35.89 141.62 0.32 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.1 Cg_endo -69.69 -43.24 2.84 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.737 2.291 . . . . 0.0 112.368 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.403 HG21 ' CZ ' ' A' ' 100' ' ' ARG . 29.5 p -54.53 -28.45 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.1 t -74.96 132.52 77.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -52.27 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.382 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.643 ' HB3' HG21 ' A' ' 60' ' ' THR . 88.5 mt -38.37 -33.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -43.67 -46.84 7.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -54.84 -47.97 73.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -57.34 126.57 74.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 135.94 31.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.83 -33.87 6.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.643 HG21 ' HB3' ' A' ' 54' ' ' LEU . 97.9 m -61.54 104.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 0.0 111.128 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -115.49 169.56 9.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.573 HG11 HG21 ' A' ' 46' ' ' ILE . 73.2 t -87.96 103.33 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 82.6 t80 -40.42 118.12 0.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 7.3 mt-10 50.52 -145.38 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -108.81 40.68 1.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -81.94 78.22 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.451 ' CG ' HD12 ' A' ' 46' ' ' ILE . 11.2 p-10 -153.8 97.17 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.1 p -124.88 136.81 54.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.3 m -95.26 136.45 35.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.7 mt -120.13 139.16 53.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -116.08 154.38 30.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -151.34 106.54 3.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.53 HG22 ' OD1' ' A' ' 80' ' ' ASN . 10.4 p -109.96 156.85 19.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.163 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -147.8 147.08 29.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.59 HG23 ' O ' ' A' ' 75' ' ' ILE . 9.0 tt -75.48 51.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -134.23 108.28 8.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 42.09 40.88 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 m120 46.11 53.64 9.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -90.8 117.32 29.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.53 ' OD1' HG22 ' A' ' 73' ' ' THR . 57.1 m-20 -123.69 135.99 54.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -122.95 174.28 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.466 ' HB3' HG22 ' A' ' 104' ' ' VAL . 7.9 p90 -148.62 129.9 14.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.536 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 2.9 t80 -116.21 124.74 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.2 mt -117.34 137.87 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.142 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.475 HG22 ' CD2' ' A' ' 125' ' ' PHE . 63.5 mt -139.2 108.93 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -124.49 153.95 41.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 63' ' ' TYR . 2.4 tt -112.77 116.06 29.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.45 ' CD2' HG22 ' A' ' 62' ' ' VAL . 35.5 mt -104.16 152.01 22.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 95' ' ' PHE . 28.5 tt0 -129.21 117.44 20.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -84.24 167.85 16.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 t -79.46 -2.42 41.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.57 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 35.9 m-20 -99.83 39.21 1.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.407 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 16.6 mtm180 45.57 32.75 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 15.5 m-85 -134.11 135.88 43.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 1.002 ' CE2' HD13 ' A' ' 118' ' ' LEU . 4.2 m-85 -105.35 167.46 9.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.546 HG21 HD11 ' A' ' 112' ' ' ILE . 23.2 m -144.58 120.88 10.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.161 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.38 106.75 16.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -86.33 125.27 33.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -125.11 126.53 45.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.403 ' CZ ' HG21 ' A' ' 51' ' ' THR . 55.2 ttt180 -131.0 120.67 23.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -140.92 169.37 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 143.74 -132.1 4.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -101.28 128.37 47.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.466 HG22 ' HB3' ' A' ' 82' ' ' PHE . 81.9 t -48.17 133.25 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 100.3 -42.3 1.99 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -96.3 175.49 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.38 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 85.5 t -74.71 -45.46 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.57 -140.48 22.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -83.8 170.09 14.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 61.0 p -134.64 122.94 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -139.19 118.35 12.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.546 HD11 HG21 ' A' ' 96' ' ' THR . 13.8 tt -124.03 138.18 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -131.07 122.26 26.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -95.59 142.56 27.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.404 ' CD1' ' OD1' ' A' ' 120' ' ' ASP . 96.2 m-85 -134.23 130.19 36.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 82.2 p -67.02 -44.53 80.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -91.39 154.94 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.002 HD13 ' CE2' ' A' ' 95' ' ' PHE . 27.7 tp -78.33 -54.55 6.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -49.16 -49.22 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.404 ' OD1' ' CD1' ' A' ' 115' ' ' PHE . 7.6 t70 -48.84 -43.47 38.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.41 -45.8 75.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -53.36 -42.87 67.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -60.15 -42.89 95.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.81 -45.79 81.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.475 ' CD2' HG22 ' A' ' 85' ' ' ILE . 5.0 t80 -58.35 -56.05 27.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -63.44 -51.18 66.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER -45.33 -56.79 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 16.0 tppt? -55.94 -57.82 10.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -46.3 -59.56 2.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 134' ' ' LYS . 31.7 ttt180 -59.68 -32.01 70.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -71.93 -23.34 61.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -97.66 -27.63 14.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 66.4 p -111.58 7.23 20.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 130' ' ' ARG . 18.2 mtpp 40.05 35.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 3.5 m-80 -142.1 167.32 22.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -91.54 144.2 25.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -71.16 -36.32 71.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.21 -32.75 74.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.453 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 38.0 mt-10 -87.41 26.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 21.2 ptt-85 -50.11 -23.62 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -56.84 -49.75 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' HIS . . . . . 0.453 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.7 p-80 -111.81 44.49 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.468 ' CE1' ' HB3' ' A' ' 152' ' ' LEU . 31.5 t80 -54.59 105.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 87.9 t -75.24 132.2 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 80.2 p -107.55 105.27 15.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -82.36 147.85 57.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.807 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 113.8 3.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.367 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 108.65 -39.23 2.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -72.02 174.21 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.338 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.536 ' CE1' ' HB2' ' A' ' 83' ' ' TYR . 21.8 m-85 -68.2 141.26 56.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.1 p -101.6 166.25 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 143' ' ' PHE . 42.5 tp -108.71 108.17 18.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.544 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.13 173.61 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.558 ' O ' HG12 ' A' ' 155' ' ' VAL . 14.4 pt-20 -126.55 17.96 7.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.74 HG22 ' H ' ' A' ' 156' ' ' GLN . 1.1 p 44.54 -175.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' GLN . . . . . 0.74 ' H ' HG22 ' A' ' 155' ' ' VAL . 65.5 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.752 0.31 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.591 HG21 HG11 ' A' ' 62' ' ' VAL . 10.9 mm -121.64 155.68 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.43 ' N ' HG22 ' A' ' 46' ' ' ILE . 17.1 mmm180 -138.57 120.58 15.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 62' ' ' VAL . 63.6 t -47.66 118.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -46.87 143.07 4.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.844 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.6 Cg_endo -69.73 -35.94 11.81 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.463 HG21 ' NE ' ' A' ' 100' ' ' ARG . 18.9 p -55.39 -40.63 71.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 14.1 t -63.73 138.54 97.41 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.24 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.724 2.282 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.526 ' HB3' HG21 ' A' ' 60' ' ' THR . 83.9 mt -45.25 -36.34 3.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.22 -49.15 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 m -56.83 -42.66 80.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -60.41 125.17 81.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.58 0.705 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 135.61 30.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.11 -37.15 3.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.526 HG21 ' HB3' ' A' ' 54' ' ' LEU . 99.1 m -59.57 116.04 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.747 0.308 . . . . 0.0 111.157 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -122.96 166.69 14.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.591 HG11 HG21 ' A' ' 46' ' ' ILE . 90.8 t -85.99 102.41 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.578 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 65.0 t80 -40.15 125.69 2.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.578 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 5.9 mt-10 41.22 -143.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.28 46.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.445 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 42.9 m-85 -89.17 80.8 6.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -163.13 108.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.9 p -132.8 142.85 49.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.8 m -99.3 134.27 42.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -118.46 145.8 44.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -128.01 149.18 50.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -151.28 128.66 11.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.404 HG22 ' CG ' ' A' ' 80' ' ' ASN . 14.3 p -129.12 158.67 38.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -146.55 150.23 35.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 75' ' ' ILE . 6.7 tt -75.43 50.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -133.95 107.8 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 42.05 40.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.8 m120 45.61 55.0 7.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -87.83 115.48 25.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.407 ' C ' HG23 ' A' ' 104' ' ' VAL . 8.4 m-20 -127.77 132.17 49.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -125.28 178.9 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -147.64 137.13 22.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.425 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 0.6 OUTLIER -119.35 122.39 41.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.5 mt -117.58 136.69 53.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.497 HG22 ' CD2' ' A' ' 125' ' ' PHE . 81.1 mt -138.79 109.57 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -124.86 145.08 49.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 tt -108.19 113.9 27.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.1 mt -101.26 167.85 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -150.58 119.41 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.445 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 24.4 p30 -90.36 168.17 12.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.0 m -69.93 -5.35 25.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.491 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 21.7 m-20 -94.33 37.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 39.1 37.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 21.9 m-85 -131.8 123.23 27.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.987 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 28.6 m-85 -94.07 155.44 17.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.73 HG21 HD11 ' A' ' 112' ' ' ILE . 25.9 m -132.3 137.13 47.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.14 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.1 m -100.03 102.5 13.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -86.46 115.02 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -122.13 116.76 24.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.463 ' NE ' HG21 ' A' ' 51' ' ' THR . 43.9 ttp85 -128.45 118.83 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -129.27 164.32 23.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.68 -168.38 33.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -70.43 137.07 50.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.407 HG23 ' C ' ' A' ' 80' ' ' ASN . 87.9 t -54.68 120.31 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.29 -40.2 2.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -90.34 174.87 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.9 t -74.55 -45.89 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.21 -170.01 53.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -67.32 166.77 13.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.1 p -131.39 120.58 23.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -134.87 124.14 24.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.73 HD11 HG21 ' A' ' 96' ' ' THR . 13.2 tt -125.73 145.33 33.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.665 ' O ' HG23 ' A' ' 96' ' ' THR . 4.6 m-80 -127.63 149.39 50.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -123.77 123.57 40.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -120.17 134.22 55.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 78.0 p -78.21 -25.71 47.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -106.54 139.94 40.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.987 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 23.8 tp -63.95 -49.79 71.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -49.5 -56.86 8.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -41.54 -44.61 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.95 -46.88 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -50.71 -47.73 59.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 124' ' ' ASP . 18.3 mttt -62.5 -69.42 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 123' ' ' LYS . 9.9 t0 -35.42 -48.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.497 ' CD2' HG22 ' A' ' 85' ' ' ILE . 3.3 t80 -60.21 -57.55 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -62.48 -62.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER -39.6 -53.17 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.468 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.9 tppt? -55.83 -49.85 72.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -58.51 -58.59 7.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 134' ' ' LYS . 8.1 ttt85 -54.75 -31.91 59.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.05 -27.99 64.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.575 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 67.9 mmtt -94.77 -23.65 17.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 134' ' ' LYS . 66.9 p -115.49 11.55 15.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 130' ' ' ARG . 9.9 mtpm? 34.2 40.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -146.48 152.96 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -81.52 135.48 35.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -58.97 -40.21 84.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.13 90.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.632 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 12.6 mt-10 -91.86 39.55 1.02 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -62.3 -21.71 65.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -52.12 -45.46 64.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' HIS . . . . . 0.632 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.1 OUTLIER -99.59 41.08 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 72.4 t80 -56.78 103.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 142' ' ' HIS . 80.0 t -93.29 105.02 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.5 t -79.19 152.88 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -126.15 152.27 73.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.557 0.694 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.62 4.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.656 2.237 . . . . 0.0 112.324 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 100.69 -32.8 6.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -71.93 -175.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.575 ' CE2' ' HD2' ' A' ' 132' ' ' LYS . 29.3 m-85 -81.99 130.92 35.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.3 p -96.71 166.49 11.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 52.5 tp -107.7 111.92 24.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.547 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -117.31 171.74 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.797 ' O ' HG12 ' A' ' 155' ' ' VAL . 9.6 pt-20 -121.13 16.64 11.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.797 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.5 p 50.41 172.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' GLN . . . . . 0.683 ' H ' HG22 ' A' ' 155' ' ' VAL . 9.1 pt20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.7 mm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.821 0.343 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.601 HG21 HG11 ' A' ' 62' ' ' VAL . 41.4 mm -115.49 138.29 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -112.32 130.48 55.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.556 HG22 HG23 ' A' ' 62' ' ' VAL . 65.5 t -59.88 114.59 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.446 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 2.3 t70 -37.32 142.28 0.4 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.655 0.741 . . . . 0.0 110.85 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.446 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.75 -51.31 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.748 2.299 . . . . 0.0 112.323 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.401 HG21 HG13 ' A' ' 107' ' ' VAL . 2.6 p -52.33 -31.34 32.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.0 t -58.25 133.87 84.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -32.21 18.9 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.68 ' HB3' HG21 ' A' ' 60' ' ' THR . 9.8 mt -85.19 24.06 1.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.974 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.486 ' HA ' HG11 ' A' ' 48' ' ' VAL . 50.4 p -85.09 -53.6 5.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 t -64.92 -38.61 91.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -53.45 122.93 34.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 130.62 19.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.284 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.54 -32.32 6.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.68 HG21 ' HB3' ' A' ' 54' ' ' LEU . 45.7 m -71.9 100.3 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 0.0 111.13 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -112.16 162.69 15.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.601 HG11 HG21 ' A' ' 46' ' ' ILE . 70.6 t -81.91 102.14 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.506 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 80.8 t80 -38.69 116.24 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.506 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 5.6 mt-10 47.42 -147.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -106.8 37.08 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.45 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 27.0 m-85 -81.58 73.85 8.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.567 HD22 HG23 ' A' ' 46' ' ' ILE . 5.8 t30 -154.0 109.57 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.9 p -132.94 139.29 47.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.2 m -95.09 134.23 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.3 mt -118.91 144.58 46.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -129.01 152.05 49.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.458 ' OE1' ' CE2' ' A' ' 150' ' ' TYR . 10.4 pt20 -153.0 128.34 9.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 p -130.49 156.34 44.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -144.76 150.96 38.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 75' ' ' ILE . 2.6 tp -75.55 52.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -135.84 109.33 7.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 8.3 m120 42.46 40.62 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 77' ' ' ASN . 0.6 OUTLIER 47.92 55.03 9.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.429 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 3.0 t-20 -81.04 112.9 18.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 79' ' ' ASN . 4.1 m-20 -133.29 125.78 30.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -129.62 177.37 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -144.62 139.4 28.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.506 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 1.3 t80 -119.53 135.03 54.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.0 mt -126.71 133.65 68.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.9 mt -136.64 110.97 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -127.85 146.22 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.498 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.4 tt -106.89 107.95 19.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.0 mt -92.81 161.98 14.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.513 ' HG2' ' CE2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -137.31 116.07 12.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -80.74 169.49 17.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 m -73.46 -15.36 61.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.511 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 11.1 m-20 -95.97 44.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 38.86 42.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 21.1 m-85 -131.47 122.77 26.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.926 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 14.8 m-85 -92.3 161.64 14.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.579 HG21 HD11 ' A' ' 112' ' ' ILE . 84.9 m -144.06 121.94 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.139 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.4 m -84.74 102.67 13.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -87.04 105.92 17.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -105.86 133.26 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -138.05 115.76 11.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.465 ' NE1' ' HB2' ' A' ' 109' ' ' GLN . 15.2 p90 -129.51 169.24 15.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.56 -126.81 2.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -116.4 152.34 34.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.2 t -67.0 115.31 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.96 25.51 7.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -153.9 170.76 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.401 HG13 HG21 ' A' ' 51' ' ' THR . 94.6 t -73.21 -40.89 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.44 -171.61 43.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.465 ' HB2' ' NE1' ' A' ' 101' ' ' TRP . 42.1 mm-40 -61.89 176.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 72.3 p -142.71 127.14 17.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -144.18 120.75 11.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.579 HD11 HG21 ' A' ' 96' ' ' THR . 6.4 tt -123.74 136.42 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -124.3 130.33 52.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -104.6 118.41 36.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -112.04 125.38 54.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.8 p -64.64 -44.57 90.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.162 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.9 mmt-85 -88.27 158.59 18.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.926 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 21.5 tp -81.66 -52.42 7.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -51.99 -51.06 59.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -46.89 -43.57 18.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.77 -45.36 78.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -56.87 -46.79 81.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -53.19 -43.12 66.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.83 -49.18 49.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.45 ' CE2' ' HB3' ' A' ' 66' ' ' TYR . 5.7 t80 -53.46 -42.22 66.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -80.6 -32.48 36.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.474 ' HB3' ' HZ2' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -61.43 -53.0 62.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -60.96 -48.74 80.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -59.13 -52.05 67.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 134' ' ' LYS . 15.1 ttt-85 -65.32 -33.12 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -71.12 -25.75 62.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.583 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 29.6 mmtm -97.07 -25.08 15.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.512 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 69.6 p -110.99 6.73 21.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' ARG . 20.3 mtpp 39.02 36.99 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -143.65 161.12 39.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -91.11 129.95 37.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.5 t-105 -48.86 -38.4 22.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.73 79.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.63 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 15.4 mt-10 -92.0 38.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 -64.43 -18.78 65.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -55.81 -47.16 77.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' HIS . . . . . 0.63 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -95.81 38.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 30.7 t80 -57.55 111.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 65.5 t -92.89 117.52 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.185 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.6 p -86.32 99.82 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -79.09 149.3 73.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.81 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 108.53 2.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 109.29 -36.02 4.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -66.22 -176.09 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.775 0.321 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.583 ' CE2' ' HD2' ' A' ' 132' ' ' LYS . 13.7 m-85 -82.38 133.11 35.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 23.8 p -95.26 166.33 11.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 0.9 OUTLIER -110.76 114.37 27.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.534 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -109.65 179.71 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.811 ' O ' HG12 ' A' ' 155' ' ' VAL . 14.5 pt-20 -128.25 10.99 6.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.7 p 50.68 172.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' GLN . . . . . 0.697 ' H ' HG22 ' A' ' 155' ' ' VAL . 13.2 pt20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.7 mm . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.813 0.339 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.826 HG21 HG11 ' A' ' 62' ' ' VAL . 39.4 mm -117.48 134.78 59.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -121.04 130.0 53.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.7 t -56.04 115.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.1 t70 -38.15 142.11 0.48 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.658 0.742 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.72 -43.46 2.68 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.3 p -51.74 -35.2 42.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.0 t -67.05 138.84 95.1 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -51.41 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.921 ' HB3' HG21 ' A' ' 60' ' ' THR . 95.1 mt -43.69 -35.64 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -40.51 -50.59 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.2 t -61.14 -46.96 88.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -53.03 128.7 47.96 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 132.66 23.87 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.24 -29.31 11.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.921 HG21 ' HB3' ' A' ' 54' ' ' LEU . 97.9 m -68.16 109.31 3.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 111.127 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -122.16 170.48 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.826 HG11 HG21 ' A' ' 46' ' ' ILE . 91.6 t -87.15 123.83 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 66.1 t80 -64.66 124.09 21.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.577 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 7.1 mt-10 44.17 -143.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -107.86 34.62 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -82.93 81.67 8.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.683 HD22 HG23 ' A' ' 46' ' ' ILE . 8.3 t30 -160.36 107.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.5 m -139.98 161.03 38.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.4 m -115.15 146.63 41.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 54.1 mt -123.15 135.56 54.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -118.91 151.25 38.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.431 ' HB3' ' CD2' ' A' ' 150' ' ' TYR . 1.6 pp0? -154.99 131.85 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.471 HG22 ' OD1' ' A' ' 80' ' ' ASN . 10.8 p -136.88 158.35 44.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -148.31 150.88 34.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.752 HG23 ' O ' ' A' ' 75' ' ' ILE . 9.9 tp -75.64 51.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -136.26 109.84 8.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 42.18 40.55 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.5 m120 44.59 54.94 6.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -86.84 115.09 24.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.471 ' OD1' HG22 ' A' ' 73' ' ' THR . 8.9 m-20 -129.63 133.83 47.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.433 ' N ' HG23 ' A' ' 104' ' ' VAL . 8.2 mtpm? -131.7 178.01 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -153.52 137.27 16.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -117.4 134.47 54.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.9 mt -124.55 132.73 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.456 HG22 ' CD2' ' A' ' 125' ' ' PHE . 84.8 mt -136.74 106.71 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -122.75 143.15 50.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.453 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.3 tt -102.37 111.09 23.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.8 mt -101.84 160.33 14.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.451 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 31.8 tp60 -135.83 116.9 14.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 94' ' ' PHE . 16.7 p30 -85.94 167.77 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.8 p -72.8 1.02 9.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.577 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 8.0 m-80 -99.0 34.35 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 44.69 26.56 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 15.7 m-85 -128.12 129.52 46.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.719 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 46.9 m-85 -91.5 160.87 15.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.455 HG21 HD11 ' A' ' 112' ' ' ILE . 23.2 m -138.34 122.77 18.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.157 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.0 m -85.72 104.13 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -86.79 111.1 20.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -112.04 129.01 56.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.2 ttp85 -135.47 118.34 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.2 p90 -129.55 164.05 24.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.86 -162.21 30.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -76.74 135.96 39.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 81' ' ' LYS . 97.5 t -54.53 120.91 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.88 -40.17 2.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -92.5 175.26 6.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.1 t -74.34 -46.29 44.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.67 -160.73 45.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.479 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -72.5 176.14 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 78.8 p -138.86 125.11 20.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -135.79 129.85 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.455 HD11 HG21 ' A' ' 96' ' ' THR . 11.3 tt -133.76 134.42 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -126.07 127.06 45.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -102.23 116.63 33.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -111.11 126.69 55.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.4 p -65.83 -43.85 87.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -89.59 152.84 21.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.719 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 31.5 tp -74.23 -53.39 9.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -50.57 -50.85 52.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.88 -49.44 10.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.26 85.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -55.1 -48.26 73.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -51.09 -42.89 60.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.11 -43.72 73.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.456 ' CD2' HG22 ' A' ' 85' ' ' ILE . 8.1 t80 -60.06 -45.97 91.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -74.25 -46.81 39.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -56.04 -54.95 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 15.8 tppt? -59.93 -54.22 48.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 130' ' ' ARG . 3.6 t80 -50.37 -60.66 2.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 134' ' ' LYS . 9.0 ttt-85 -59.82 -28.79 67.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.81 -22.15 61.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -101.2 -26.79 13.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.436 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 66.2 p -112.35 8.32 19.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 130' ' ' ARG . 22.3 mtpp 41.05 26.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 133' ' ' THR . 31.1 m-80 -132.0 146.13 51.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -77.31 133.47 38.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -56.16 -37.82 70.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.46 -42.03 65.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 12.8 mt-10 -90.37 35.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -59.85 -20.42 56.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -53.49 -47.74 69.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -95.95 35.26 1.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 25.7 t80 -57.97 108.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 5.8 p -90.77 126.37 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 95.4 p -95.62 100.99 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -83.38 149.62 58.49 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.528 0.68 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 120.64 7.4 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 101.19 -34.9 5.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.62 178.68 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.31 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 72' ' ' GLN . 38.9 m-85 -80.23 144.67 32.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 22.9 p -106.12 164.55 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.3 tt -107.79 116.33 31.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.569 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.17 174.11 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.839 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.801 ' O ' HG12 ' A' ' 155' ' ' VAL . 9.2 pt-20 -125.77 15.51 8.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.801 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.2 p 50.25 172.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' GLN . . . . . 0.688 ' H ' HG22 ' A' ' 155' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.0 mm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.842 0.353 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.481 HG21 HG11 ' A' ' 62' ' ' VAL . 19.6 mm -122.61 133.23 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.27 129.59 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.5 t -64.16 119.52 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -38.59 142.08 0.53 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.5 Cg_endo -69.81 -48.21 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.3 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.428 HG21 ' CZ ' ' A' ' 100' ' ' ARG . 32.6 p -49.15 -32.57 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.0 t -70.08 138.48 87.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.64 0.734 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -50.98 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.924 ' HB3' HG21 ' A' ' 60' ' ' THR . 93.4 mt -43.66 -35.47 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -41.16 -49.87 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 m -61.56 -46.42 89.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -54.97 128.18 64.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 139.54 40.67 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.42 -37.41 3.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.924 HG21 ' HB3' ' A' ' 54' ' ' LEU . 96.0 m -59.12 106.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 111.163 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -120.8 161.94 20.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.481 HG11 HG21 ' A' ' 46' ' ' ILE . 92.8 t -80.52 119.8 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.577 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 78.2 t80 -57.81 122.29 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.577 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.3 mt-10 47.53 -145.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.482 ' CG ' ' O ' ' A' ' 65' ' ' ASP . 20.2 t70 -104.32 39.73 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -81.45 69.67 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 13.9 p-10 -144.99 94.76 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.7 p -125.84 142.78 51.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.8 m -106.21 134.56 49.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -120.44 146.27 46.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -123.37 157.46 33.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.451 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 5.2 tp-100 -153.08 106.97 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.2 p -111.66 158.31 19.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -150.82 145.66 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 75' ' ' ILE . 7.5 tt -75.53 51.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -134.41 109.3 8.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m120 42.64 41.1 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 48.59 54.97 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -83.93 112.1 19.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.591 ' C ' HG23 ' A' ' 104' ' ' VAL . 1.6 m120 -128.51 122.07 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -119.3 178.86 4.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -149.87 129.05 12.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -112.89 135.87 53.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 78.0 mt -130.45 133.35 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.637 HG22 ' CE2' ' A' ' 125' ' ' PHE . 56.0 mt -134.09 105.31 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -120.65 146.65 46.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 tt -107.64 107.93 18.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.3 mt -95.0 167.17 11.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -149.42 124.95 10.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -92.4 169.35 10.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.3 t -59.4 -31.46 69.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.591 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 35.2 m-20 -82.42 46.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 33.16 34.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.4 m-85 -114.62 118.41 33.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.884 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 12.8 m-85 -92.89 167.59 11.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 113' ' ' ASN . 59.7 m -148.91 123.91 10.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.8 m -82.32 104.47 12.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -90.37 103.74 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -113.26 123.15 49.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.428 ' CZ ' HG21 ' A' ' 51' ' ' THR . 57.6 ttp85 -133.54 133.67 42.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -143.34 174.2 10.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.11 -160.52 27.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -75.95 131.63 39.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.591 HG23 ' C ' ' A' ' 80' ' ' ASN . 92.6 t -50.8 126.72 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 105.79 -39.8 2.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -93.1 170.72 9.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 79.5 t -69.61 -45.97 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.19 -166.32 54.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -71.63 145.06 49.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 54.1 p -115.54 129.63 56.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -133.91 114.66 13.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.8 tt -120.71 136.08 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 96' ' ' THR . 6.6 m120 -127.69 132.46 49.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -103.44 116.06 31.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -110.53 118.25 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 35.8 p -61.62 -39.1 90.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -92.74 156.17 17.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.884 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 30.9 tp -78.43 -63.35 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 120' ' ' ASP . 6.9 pt-20 -47.54 -41.87 22.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 119' ' ' GLU . 1.0 OUTLIER -50.66 -45.5 58.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.93 -35.86 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -60.13 -42.39 94.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -61.22 -44.13 97.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -42.47 73.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.637 ' CE2' HG22 ' A' ' 85' ' ' ILE . 3.8 t80 -63.25 -43.89 96.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -73.86 -48.43 31.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -52.85 -56.34 16.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -52.8 -48.39 66.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -59.08 -59.37 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 134' ' ' LYS . 18.3 ttt-85 -58.34 -30.21 66.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -73.01 -26.84 61.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.585 ' HD2' ' CD1' ' A' ' 150' ' ' TYR . 35.8 mmtt -95.07 -24.25 16.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.52 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 62.8 p -114.88 9.57 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' ARG . 18.0 mtpp 36.99 39.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.437 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 3.5 m-80 -144.74 160.07 41.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -89.2 133.94 34.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.7 t-105 -56.21 -39.67 72.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.04 -42.39 76.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.611 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 12.5 mt-10 -91.77 39.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -63.16 -20.74 65.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -53.26 -46.22 69.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' HIS . . . . . 0.611 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -98.17 39.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 47.0 t80 -56.25 104.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 96.0 t -89.55 102.47 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.9 p -81.71 99.65 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -78.5 151.15 77.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.7 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 119.23 6.21 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.637 2.224 . . . . 0.0 112.35 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 109.24 -39.22 2.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.515 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -73.86 177.77 5.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.355 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.585 ' CD1' ' HD2' ' A' ' 132' ' ' LYS . 19.3 m-85 -70.72 158.11 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 15.4 p -115.98 166.49 11.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.193 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.0 OUTLIER -109.94 110.45 21.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.537 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.49 169.57 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.822 ' O ' HG12 ' A' ' 155' ' ' VAL . 13.3 pt-20 -117.85 13.82 14.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.822 HG12 ' O ' ' A' ' 154' ' ' GLU . 5.9 p 51.1 172.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' GLN . . . . . 0.694 ' H ' HG22 ' A' ' 155' ' ' VAL . 9.6 pt20 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.804 0.335 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.741 HG21 HG11 ' A' ' 62' ' ' VAL . 13.4 mm -123.38 133.91 67.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -110.3 121.52 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.7 t -50.1 123.67 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -47.86 141.51 7.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.536 0.684 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.0 Cg_endo -69.77 -41.8 3.95 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.737 2.292 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.475 HG21 ' CZ ' ' A' ' 100' ' ' ARG . 50.0 p -52.93 -34.84 57.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 37.4 t -71.56 137.04 83.29 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' LEU . 53.9 Cg_endo -69.78 -51.2 0.4 Allowed 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.662 2.241 . . . . 0.0 112.332 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.6 ' HB3' HG21 ' A' ' 60' ' ' THR . 97.0 mt -37.02 -38.6 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -41.29 -50.88 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -50.04 -44.8 51.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -62.16 128.54 91.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.98 61.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.36 -42.34 2.72 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.6 HG21 ' HB3' ' A' ' 54' ' ' LEU . 86.1 m -55.99 107.88 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 111.119 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -121.53 165.93 14.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.741 HG11 HG21 ' A' ' 46' ' ' ILE . 99.2 t -78.6 106.63 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 67.2 t80 -46.07 119.25 2.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.567 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 6.2 mt-10 51.06 -142.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -113.98 42.45 2.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 125' ' ' PHE . 42.2 m-85 -87.37 81.9 7.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -162.04 115.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.5 p -144.09 149.02 35.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.3 m -102.27 132.08 48.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.3 mt -114.99 140.0 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -115.5 148.42 39.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.474 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 48.1 tt0 -141.67 107.62 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 p -116.18 155.08 28.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -150.3 144.79 25.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 75' ' ' ILE . 7.3 tp -75.59 51.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -136.56 110.04 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 42.65 40.43 2.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 47.76 54.99 9.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -84.5 112.31 20.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -128.85 141.03 51.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -143.46 170.11 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -139.2 142.22 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -127.88 132.79 49.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.954 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 79.7 mt -124.29 135.79 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.537 HG22 ' CD2' ' A' ' 125' ' ' PHE . 65.2 mt -135.48 110.94 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -128.52 147.72 50.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 63' ' ' TYR . 1.9 tt -109.27 111.13 22.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.458 ' CD2' HG22 ' A' ' 62' ' ' VAL . 25.5 mt -99.9 151.94 20.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.547 ' HB2' ' CE2' ' A' ' 95' ' ' PHE . 20.7 tt0 -125.92 139.62 53.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -109.51 168.55 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.0 p -71.71 -13.86 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.546 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 13.8 t-20 -93.63 39.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 41.5 25.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 17.1 m-85 -119.99 118.67 31.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.621 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 18.9 m-85 -91.96 167.26 12.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.709 HG21 HD11 ' A' ' 112' ' ' ILE . 24.3 m -142.13 124.37 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.2 m -87.75 103.46 15.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -86.06 123.49 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -121.66 133.69 54.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.475 ' CZ ' HG21 ' A' ' 51' ' ' THR . 31.7 ttt180 -135.66 124.33 23.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.495 ' CH2' ' HB2' ' A' ' 111' ' ' LYS . 17.9 p90 -140.59 169.25 18.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 152.9 -127.73 2.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -113.8 148.61 36.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.42 110.48 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.17 25.91 5.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -160.94 164.58 31.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.366 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 108' ' ' GLY . 0.5 OUTLIER -65.05 -40.19 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.458 ' O ' HG13 ' A' ' 107' ' ' VAL . . . 64.56 -155.48 47.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -77.27 174.23 10.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.9 p -147.94 135.33 20.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.495 ' HB2' ' CH2' ' A' ' 101' ' ' TRP . 0.3 OUTLIER -139.53 153.09 47.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.709 HD11 HG21 ' A' ' 96' ' ' THR . 12.6 tt -147.45 146.05 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -135.83 128.97 31.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -102.17 125.09 48.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -123.89 134.85 53.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 67.0 p -75.26 -42.55 54.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -88.6 149.04 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.621 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 24.7 tp -76.01 -50.38 15.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -54.05 -46.59 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -50.76 -47.02 59.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.99 97.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -60.66 -39.03 86.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 26.0 mtpp -59.54 -47.2 86.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.91 -44.7 63.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.537 ' CD2' HG22 ' A' ' 85' ' ' ILE . 1.8 t80 -58.65 -49.3 78.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -72.17 -55.32 7.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -40.88 -53.2 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 11.8 tppt? -53.86 -52.41 60.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -56.94 -53.57 56.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.0 ttp85 -61.17 -27.0 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -81.82 -28.67 33.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.587 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 35.2 mmtm -88.27 -27.49 21.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 43.5 p -109.32 -3.01 17.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt 49.96 41.08 22.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -153.68 141.52 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -66.27 137.48 56.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -60.93 -37.74 83.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.31 -42.46 88.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.628 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 12.4 mt-10 -87.77 36.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.7 ptt85 -59.29 -23.2 62.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -50.47 -48.1 56.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' HIS . . . . . 0.628 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -97.17 38.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -58.36 104.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 87.0 t -87.92 130.55 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 89.3 p -98.65 100.05 11.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -76.29 149.81 82.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.631 2.22 . . . . 0.0 112.389 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 104.99 -36.74 4.2 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -64.03 -175.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.587 ' CE2' ' HD2' ' A' ' 132' ' ' LYS . 22.3 m-85 -81.35 141.75 33.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 8.9 p -105.6 166.51 10.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 39.7 tp -106.99 106.19 16.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.595 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -115.59 170.14 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.706 ' O ' HG12 ' A' ' 155' ' ' VAL . 9.8 pt-20 -123.21 20.27 9.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.792 HG22 ' H ' ' A' ' 156' ' ' GLN . 3.2 p 47.69 179.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' GLN . . . . . 0.792 ' H ' HG22 ' A' ' 155' ' ' VAL . 65.8 mt-30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.2 mm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.829 0.347 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.538 HD12 ' ND2' ' A' ' 67' ' ' ASN . 19.3 mm -126.25 141.99 44.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -123.47 112.78 17.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.49 HG22 HG23 ' A' ' 62' ' ' VAL . 98.3 t -42.99 122.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -39.76 143.78 0.55 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.572 0.701 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.74 -41.79 3.99 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.338 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 p -54.87 -36.17 64.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.5 t -63.28 136.74 96.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.625 0.726 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -51.18 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.768 2.312 . . . . 0.0 112.299 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.782 ' HB3' HG21 ' A' ' 60' ' ' THR . 49.1 mt -43.9 -35.94 2.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.1 t -40.99 -48.41 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 t -57.63 -45.91 84.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -58.09 127.76 80.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.58 33.24 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.382 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.04 -32.13 7.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.782 HG21 ' HB3' ' A' ' 54' ' ' LEU . 87.2 m -66.5 106.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.733 0.302 . . . . 0.0 111.138 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -117.52 175.52 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.49 HG23 HG22 ' A' ' 48' ' ' VAL . 93.4 t -93.11 112.81 26.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 69.6 t80 -49.18 123.22 6.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.577 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 8.9 mt-10 46.39 -142.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -109.36 40.19 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -85.86 84.76 7.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.538 ' ND2' HD12 ' A' ' 46' ' ' ILE . 16.1 p-10 -155.7 108.5 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.413 ' SG ' HD11 ' A' ' 152' ' ' LEU . 10.6 m -146.6 161.04 41.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -119.34 152.48 36.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.491 HD12 ' HB3' ' A' ' 83' ' ' TYR . 60.9 mt -122.34 144.92 48.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -132.4 155.29 48.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.4 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 7.9 tm0? -155.38 105.07 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.5 p -101.28 152.0 21.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -147.45 141.33 25.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.635 HG23 ' O ' ' A' ' 75' ' ' ILE . 2.5 tp -76.06 51.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -134.75 108.54 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m120 41.79 41.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 46.2 52.21 10.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -95.77 116.05 28.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.487 ' HB2' ' CG2' ' A' ' 104' ' ' VAL . 0.6 OUTLIER -130.69 141.6 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.415 ' N ' HG23 ' A' ' 104' ' ' VAL . 40.3 mtpt -132.94 169.76 16.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -148.06 171.44 15.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.491 ' HB3' HD12 ' A' ' 70' ' ' LEU . 2.2 t80 -150.48 130.08 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.473 HD12 ' HB3' ' A' ' 100' ' ' ARG . 31.5 mt -111.51 137.75 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.546 HG22 ' CD2' ' A' ' 125' ' ' PHE . 75.3 mt -140.65 108.88 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -129.18 153.47 47.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.561 HD22 ' CB ' ' A' ' 63' ' ' TYR . 1.7 tt -115.09 113.85 24.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.662 HD12 HD12 ' A' ' 54' ' ' LEU . 33.2 mt -100.88 159.55 15.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -138.06 125.71 22.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -92.9 170.55 9.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t -66.76 -30.94 71.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.584 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 6.7 m120 -84.24 47.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 92' ' ' ASN . 1.5 ptm85 36.14 34.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 22.8 m-85 -117.22 116.66 27.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.913 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 21.2 m-85 -92.73 166.63 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.498 HG21 HD11 ' A' ' 112' ' ' ILE . 62.6 m -148.36 123.44 10.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.3 m -82.0 102.13 10.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -88.81 110.17 20.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -113.83 140.67 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.823 ' NH1' HG22 ' A' ' 107' ' ' VAL . 11.5 ttm-85 -148.51 119.94 7.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 31.4 p90 -131.92 179.18 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.23 -148.81 20.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -91.06 138.22 31.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.487 ' CG2' ' HB2' ' A' ' 80' ' ' ASN . 93.1 t -61.31 92.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 142.42 -23.12 2.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -120.3 153.31 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.823 HG22 ' NH1' ' A' ' 100' ' ' ARG . 0.8 OUTLIER -43.16 -44.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.526 ' N ' ' CG1' ' A' ' 107' ' ' VAL . . . 84.34 -155.43 31.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -87.26 170.48 11.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 63.0 p -131.32 139.03 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -153.54 121.58 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.498 HD11 HG21 ' A' ' 96' ' ' THR . 12.2 tt -123.11 138.95 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -129.95 122.28 28.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -93.56 131.63 38.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -124.28 129.2 50.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 24.7 p -75.03 -24.63 58.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -105.67 144.23 32.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.913 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 25.7 tp -74.66 -50.63 16.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -51.33 -57.33 9.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.69 -48.13 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.5 -47.24 86.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -57.22 -46.03 83.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -57.6 -46.94 83.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.53 -55.68 16.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.546 ' CD2' HG22 ' A' ' 85' ' ' ILE . 4.8 t80 -48.43 -43.57 34.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -79.03 -35.01 43.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.1 OUTLIER -60.43 -53.2 60.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.6 tppt? -60.52 -52.28 65.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -57.97 -59.04 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.2 ttp85 -50.99 -27.28 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -87.03 -32.75 19.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -82.47 -15.12 53.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 44.6 p -124.49 -4.17 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 49.66 42.86 23.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -155.74 141.31 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -65.75 135.72 55.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -60.07 -38.47 82.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.21 -39.8 86.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.054 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.639 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 13.5 mt-10 -89.53 36.9 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.571 HH12 HD21 ' A' ' 152' ' ' LEU . 3.2 ptm85 -59.98 -24.58 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -49.67 -48.31 49.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' HIS . . . . . 0.639 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -97.03 40.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 61.4 t80 -59.65 104.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 79.7 t -95.92 116.96 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 66.9 p -85.61 99.57 11.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -73.62 151.44 89.24 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.54 0.686 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.71 13.59 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 99.37 -38.52 3.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -72.92 -177.86 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.4 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 41.5 m-85 -80.9 163.89 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.0 p -115.24 166.37 11.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.571 HD21 HH12 ' A' ' 140' ' ' ARG . 37.1 tp -107.12 108.24 19.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.617 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -110.88 175.29 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.785 ' O ' HG12 ' A' ' 155' ' ' VAL . 10.4 pt-20 -126.02 14.91 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.785 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.8 p 50.52 172.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' GLN . . . . . 0.691 ' H ' HG22 ' A' ' 155' ' ' VAL . 18.8 pt20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.0 mm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.755 0.312 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.705 HG21 HG11 ' A' ' 62' ' ' VAL . 42.9 mm -114.94 132.29 64.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -105.27 135.4 46.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' ASP . 49.5 t -65.56 112.4 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' VAL . 3.5 t70 -34.22 141.86 0.23 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.75 -42.41 3.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -52.61 -35.27 54.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.1 t -68.14 138.04 92.05 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -49.3 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.337 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.877 ' HB3' HG21 ' A' ' 60' ' ' THR . 82.1 mt -43.49 -35.9 1.82 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 54' ' ' LEU . 12.9 t -37.28 -57.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.9 m -52.08 -46.5 65.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -58.17 126.66 78.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 143.07 49.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.621 2.214 . . . . 0.0 112.373 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.77 -43.21 1.99 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.877 HG21 ' HB3' ' A' ' 54' ' ' LEU . 87.1 m -59.62 101.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 0.0 111.189 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -116.94 170.03 8.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.705 HG11 HG21 ' A' ' 46' ' ' ILE . 75.6 t -82.37 102.26 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 87.4 t80 -42.91 112.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.564 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 6.1 mt-10 57.28 -145.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.24 40.01 2.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.432 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 28.5 m-85 -81.42 76.21 8.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.938 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 6.5 p-10 -151.42 112.13 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.7 p -137.21 137.9 39.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.1 m -99.05 134.81 41.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -119.71 143.79 47.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -119.85 151.26 39.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.471 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 53.5 tt0 -145.53 108.05 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.538 HG22 ' CG ' ' A' ' 80' ' ' ASN . 10.0 p -110.82 156.92 20.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -148.23 145.94 28.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.684 HG23 ' O ' ' A' ' 75' ' ' ILE . 3.5 tp -75.49 52.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -135.18 109.01 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.6 m120 42.19 40.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 34.2 m120 45.99 55.02 7.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -94.17 118.35 31.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.538 ' CG ' HG22 ' A' ' 73' ' ' THR . 32.1 m-20 -124.57 136.96 54.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -125.85 174.27 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -144.39 164.86 29.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -148.11 127.79 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.7 mt -120.3 135.35 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.187 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.533 HG22 ' CE2' ' A' ' 125' ' ' PHE . 80.3 mt -136.87 105.11 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.109 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -119.24 151.23 38.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 63' ' ' TYR . 1.8 tt -111.58 106.59 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.4 mt -96.02 151.84 19.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.483 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 40.7 tt0 -130.18 130.47 44.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -97.27 170.2 9.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.2 t -68.17 -31.4 70.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.553 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 21.5 m-80 -82.8 47.3 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.8 ptt-85 35.67 38.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 23.5 m-85 -124.55 117.55 24.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.595 ' CE2' HD13 ' A' ' 118' ' ' LEU . 16.7 m-85 -93.05 167.16 11.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.732 HG21 HD11 ' A' ' 112' ' ' ILE . 57.0 m -146.37 119.95 9.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.3 m -83.91 104.19 13.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 50.2 t-105 -89.22 109.44 20.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -106.09 136.73 45.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.1 ttp85 -140.87 124.7 17.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 16.2 p90 -144.92 172.71 12.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.42 -137.05 6.81 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -100.77 131.59 46.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.7 t -48.13 130.81 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 100.74 -44.19 1.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -90.8 176.01 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.7 t -79.21 -41.16 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.71 -149.55 43.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -79.52 162.13 25.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.9 p -134.46 119.45 18.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.58 127.22 38.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.732 HD11 HG21 ' A' ' 96' ' ' THR . 14.3 tt -122.6 144.72 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -131.21 119.5 21.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -94.8 124.47 38.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.57 ' CD1' ' OD1' ' A' ' 120' ' ' ASP . 75.8 m-85 -118.37 146.92 44.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.2 p -87.83 -36.14 17.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -98.42 166.42 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.595 HD13 ' CE2' ' A' ' 95' ' ' PHE . 15.3 tp -87.72 -53.91 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -53.31 -51.32 62.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.57 ' OD1' ' CD1' ' A' ' 115' ' ' PHE . 0.4 OUTLIER -43.76 -48.59 8.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.491 ' N ' ' OD1' ' A' ' 120' ' ' ASP . . . -62.95 -49.55 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -52.89 -43.21 66.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -53.6 -43.46 68.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.93 -44.83 46.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.533 ' CE2' HG22 ' A' ' 85' ' ' ILE . 7.1 t80 -56.08 -42.48 76.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -79.37 -36.51 39.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 1.2 tmmm? -62.52 -55.19 29.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 11.9 tppt? -56.11 -44.46 79.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.86 -51.84 65.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 135' ' ' ASN . 15.1 ttt-85 -65.84 -27.78 68.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -74.81 -28.06 60.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -94.76 -18.84 20.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 134' ' ' LYS . 43.0 p -120.8 10.74 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.182 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 133' ' ' THR . 47.6 mtpt 34.6 37.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' A' ' 130' ' ' ARG . 16.5 m-80 -138.95 164.99 28.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -96.44 132.18 42.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -53.96 -39.08 65.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.87 -43.25 79.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.605 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 12.1 mt-10 -91.97 39.53 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -63.43 -19.87 65.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.73 -50.83 67.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' HIS . . . . . 0.605 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -92.27 36.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 32.6 t80 -58.16 118.5 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 71.5 t -99.82 130.06 49.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.3 p -98.9 103.45 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -79.15 150.92 75.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 108.78 2.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 107.38 -36.51 4.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.474 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -64.9 -179.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.471 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 20.4 m-85 -80.12 137.23 36.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 19.0 p -99.23 166.52 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.3 tt -109.04 116.53 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.543 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -120.35 172.87 6.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.598 ' O ' HG12 ' A' ' 155' ' ' VAL . 13.3 pt-20 -124.96 22.11 8.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.781 HG22 ' H ' ' A' ' 156' ' ' GLN . 1.4 p 45.21 -176.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' GLN . . . . . 0.781 ' H ' HG22 ' A' ' 155' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 46' ' ' ILE . 45.6 mm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.777 0.323 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.661 HG21 HG11 ' A' ' 62' ' ' VAL . 38.6 mm -128.42 138.36 54.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 mmm-85 -113.49 128.8 56.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.05 120.36 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -39.95 142.39 0.69 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.603 0.716 . . . . 0.0 110.873 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.3 Cg_endo -69.7 -33.46 16.79 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.9 p -60.06 -38.01 81.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.151 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.7 t -66.43 138.37 95.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.574 ' HB3' HG21 ' A' ' 60' ' ' THR . 69.7 mt -43.93 -35.1 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 t -38.79 -50.67 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.3 m -58.97 -46.53 87.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -53.07 124.9 39.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 131.61 21.66 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.5 -37.69 3.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.574 HG21 ' HB3' ' A' ' 54' ' ' LEU . 87.0 m -65.15 107.83 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 111.12 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -123.84 154.58 39.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.661 HG11 HG21 ' A' ' 46' ' ' ILE . 84.0 t -68.82 110.84 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.572 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 74.0 t80 -49.5 122.25 6.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.572 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 7.9 mt-10 46.93 -143.65 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.66 40.13 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -83.23 78.1 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.437 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 5.1 t30 -153.94 102.11 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.4 p -124.57 148.02 48.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.5 m -108.43 134.43 51.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.439 ' HB3' ' CD1' ' A' ' 150' ' ' TYR . 23.3 mt -121.83 132.27 54.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -112.29 151.12 30.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -152.24 107.47 3.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.405 HG22 ' CG ' ' A' ' 80' ' ' ASN . 5.7 p -117.22 157.34 26.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -141.33 159.0 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.708 HG23 ' O ' ' A' ' 75' ' ' ILE . 17.4 tt -83.73 53.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -140.01 111.22 7.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.4 m120 42.89 40.48 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.0 t30 48.02 54.96 9.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -83.09 114.87 21.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.535 ' O ' HG23 ' A' ' 104' ' ' VAL . 2.9 m-20 -129.56 125.26 35.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -116.04 176.89 4.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -152.77 126.26 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -112.61 136.49 52.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.8 mt -129.35 133.58 65.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.423 HG22 ' CD2' ' A' ' 125' ' ' PHE . 71.6 mt -136.36 108.89 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -125.53 154.41 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.2 tt -113.24 109.41 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.1 mt -94.85 163.29 13.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.594 ' OE1' ' CE2' ' A' ' 95' ' ' PHE . 4.5 tp60 -138.5 118.92 13.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -89.08 167.23 13.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -64.08 -29.13 70.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.59 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 44.1 m-20 -85.64 49.28 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 31.59 37.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.3 m-85 -118.77 119.65 35.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.611 ' CE2' HD13 ' A' ' 118' ' ' LEU . 21.8 m-85 -91.8 161.06 15.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.667 HG21 HD11 ' A' ' 112' ' ' ILE . 97.2 m -143.19 124.86 14.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 18.9 m -87.13 101.48 13.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -87.47 115.75 25.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -120.57 118.55 30.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.5 ttp85 -121.18 125.04 46.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 15.4 p90 -142.13 171.31 14.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.91 -135.6 5.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -103.26 129.0 50.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 80' ' ' ASN . 83.9 t -47.08 136.95 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 96.27 -43.68 2.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -95.27 168.51 10.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.889 0.376 . . . . 0.0 110.825 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 84.7 t -67.14 -44.89 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.03 -149.24 35.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -80.8 169.36 17.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 88.7 p -142.72 120.39 11.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.52 119.73 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.667 HD11 HG21 ' A' ' 96' ' ' THR . 14.4 tt -120.76 138.83 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.162 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.501 ' O ' HG23 ' A' ' 96' ' ' THR . 19.9 m-80 -129.59 139.07 51.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -110.1 121.55 45.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -115.21 122.84 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.5 p -65.16 -40.26 94.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -88.78 153.53 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.611 HD13 ' CE2' ' A' ' 95' ' ' PHE . 19.9 tp -79.98 -53.49 6.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 119' ' ' GLU . 15.2 mp0 -54.04 -49.87 68.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 120' ' ' ASP . 9.9 t0 -46.56 -46.6 19.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.15 -43.58 91.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.576 ' HE3' HD11 ' A' ' 118' ' ' LEU . 56.9 mttt -57.71 -44.31 85.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 20.4 mtpt -55.03 -40.79 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.424 ' C ' ' OD1' ' A' ' 124' ' ' ASP . 13.8 t0 -71.15 -37.49 72.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.447 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 4.6 t80 -67.84 -42.99 80.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -79.58 -39.21 32.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -62.81 -56.99 12.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 13.5 tppt? -57.97 -45.26 87.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -62.54 -57.99 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 134' ' ' LYS . 19.5 ttp180 -59.92 -29.16 68.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -77.88 -30.46 50.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.437 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 36.3 mmtm -84.47 -24.79 29.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 60.0 p -113.16 -6.01 13.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 130' ' ' ARG . 28.2 mtpt 54.47 35.82 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.891 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -144.21 169.53 17.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -88.24 146.0 25.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -72.29 -38.28 68.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.39 69.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 23.8 mt-10 -88.71 28.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -56.44 -24.97 48.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -48.34 80.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' HIS . . . . . 0.551 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.7 p-80 -110.62 37.23 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 6.3 t80 -48.72 126.1 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 82.9 t -96.82 139.7 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 17.7 t -112.45 148.02 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -126.73 150.03 70.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.523 0.678 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 110.2 2.48 Favored 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.701 2.268 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 112.05 -36.68 4.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -77.87 -174.93 3.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.318 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.439 ' CD1' ' HB3' ' A' ' 70' ' ' LEU . 11.6 m-85 -76.01 161.11 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.0 p -123.28 157.7 32.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -97.52 108.37 21.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.617 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -116.54 171.92 5.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.795 ' O ' HG12 ' A' ' 155' ' ' VAL . 10.5 pt-20 -119.45 15.07 12.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.795 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.1 p 50.39 173.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' GLN . . . . . 0.694 ' H ' HG22 ' A' ' 155' ' ' VAL . 16.8 pt20 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 46' ' ' ILE . 19.6 mm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.787 0.327 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.548 HD12 ' ND2' ' A' ' 67' ' ' ASN . 12.8 mm -129.68 137.55 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 mmt-85 -108.0 116.28 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.533 HG22 HG23 ' A' ' 62' ' ' VAL . 71.9 t -46.37 114.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -34.83 142.67 0.24 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.723 . . . . 0.0 110.828 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.9 Cg_endo -69.78 -45.11 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.0 p -54.69 -25.3 26.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.556 ' HA ' ' CH2' ' A' ' 98' ' ' TRP . 1.2 t -75.0 132.53 76.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.703 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.41 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.622 ' HB3' HG21 ' A' ' 60' ' ' THR . 90.7 mt -44.71 -25.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.1 p -48.33 -48.62 36.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.9 p -55.12 -45.54 75.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -55.48 124.89 57.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 131.49 21.31 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.66 2.24 . . . . 0.0 112.298 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.3 -36.61 4.29 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.622 HG21 ' HB3' ' A' ' 54' ' ' LEU . 38.9 m -60.24 97.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 111.134 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -110.78 144.03 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.533 HG23 HG22 ' A' ' 48' ' ' VAL . 61.4 t -61.8 102.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.573 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 57.8 t80 -35.26 131.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.573 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 16.1 mt-10 34.37 -144.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -108.76 37.95 2.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -82.55 77.29 9.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.548 ' ND2' HD12 ' A' ' 46' ' ' ILE . 18.5 p-10 -149.82 107.05 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.4 p -131.31 142.22 50.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.7 m -103.08 133.44 48.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 mt -118.18 145.11 45.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -123.56 154.26 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -147.46 110.13 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.414 HG22 ' OD1' ' A' ' 80' ' ' ASN . 10.3 p -111.91 157.49 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -149.91 146.44 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.691 HG23 ' O ' ' A' ' 75' ' ' ILE . 2.6 tp -75.65 52.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -135.3 109.58 8.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 3.4 m120 41.99 40.67 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 77' ' ' ASN . 1.3 p-10 45.91 53.18 9.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -92.23 116.56 29.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.414 ' OD1' HG22 ' A' ' 73' ' ' THR . 47.1 m-20 -120.72 143.04 48.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -130.87 170.41 14.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -150.27 134.71 17.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.539 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 2.0 t80 -116.74 128.31 55.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.8 mt -112.87 142.91 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.605 HG22 ' CE2' ' A' ' 125' ' ' PHE . 62.8 mt -143.48 115.75 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -137.28 143.81 42.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.5 tt -105.0 112.06 25.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.432 HD12 HD12 ' A' ' 54' ' ' LEU . 36.1 mt -94.27 163.46 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -144.28 125.11 14.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -98.09 167.48 10.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 t -65.04 -23.49 67.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.588 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 11.4 m120 -86.9 46.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 31.6 36.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.588 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.1 m-85 -119.68 116.64 26.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.804 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 42.4 m-85 -91.4 162.16 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.4 m -144.72 126.57 15.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.9 m -82.14 105.85 13.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.556 ' CH2' ' HA ' ' A' ' 52' ' ' CYS . 58.3 t-105 -86.08 108.73 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -113.42 140.59 47.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 107' ' ' VAL . 19.0 ttm-85 -149.5 136.37 19.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 18.2 p90 -148.89 171.06 16.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.07 -154.65 25.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -92.45 137.32 32.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.1 t -55.78 135.21 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.48 -41.58 2.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -98.33 154.1 18.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.449 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 52.6 t -48.68 -48.75 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.0 -151.93 32.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.447 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 5.6 mt-30 -90.61 178.94 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.7 p -150.31 145.03 25.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -151.74 121.48 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.3 tt -121.84 133.12 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -127.65 120.4 27.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -89.88 136.6 32.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -126.2 140.41 52.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.1 p -84.36 -24.87 29.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -105.63 148.24 27.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.804 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 28.0 tp -75.1 -55.01 6.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CD ' ' H ' ' A' ' 119' ' ' GLU . 3.8 mp0 -49.18 -55.83 11.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -42.36 -46.34 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.98 -46.19 85.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -56.78 -44.36 81.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 19.1 mtpt -58.52 -47.74 83.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -64.03 -38.44 91.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.605 ' CE2' HG22 ' A' ' 85' ' ' ILE . 7.7 t80 -66.59 -62.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -58.98 -49.28 78.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -52.73 -54.53 32.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.0 tppt? -55.52 -49.84 71.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -56.42 -49.76 73.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 49.7 ttp85 -68.33 -29.63 68.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.03 -22.17 59.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.49 ' HD2' ' CE1' ' A' ' 150' ' ' TYR . 60.6 mmtt -102.08 -24.61 13.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.527 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 64.3 p -114.33 10.66 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 133' ' ' THR . 15.6 mtpp 35.22 39.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -145.57 158.2 43.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -88.85 131.41 35.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -52.35 -36.55 53.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.19 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.474 ' HB3' ' NE2' ' A' ' 142' ' ' HIS . 15.0 mt-10 -85.58 30.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -57.72 -11.43 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -62.99 -47.17 84.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' HIS . . . . . 0.516 ' O ' HG23 ' A' ' 144' ' ' VAL . 1.5 p80 -104.06 36.86 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.527 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 55.5 t80 -45.83 93.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 142' ' ' HIS . 56.9 t -80.1 102.62 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.0 p -83.69 116.42 22.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -89.26 150.28 44.56 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.622 0.725 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 114.79 3.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.746 2.297 . . . . 0.0 112.365 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 114.51 -39.28 2.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -74.89 -175.8 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.539 ' CE2' ' HB2' ' A' ' 83' ' ' TYR . 27.6 m-85 -74.51 162.67 28.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.3 p -120.69 161.72 20.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.094 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 38.3 tp -102.12 110.27 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.541 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -117.26 169.3 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.82 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.589 ' O ' HG12 ' A' ' 155' ' ' VAL . 14.5 pt-20 -122.66 19.49 10.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.802 HG22 ' H ' ' A' ' 156' ' ' GLN . 1.5 p 45.09 -175.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' GLN . . . . . 0.802 ' H ' HG22 ' A' ' 155' ' ' VAL . 76.0 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.7 mm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.794 0.331 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.56 HG21 HG11 ' A' ' 62' ' ' VAL . 13.6 mm -128.74 138.04 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.53 111.62 18.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.517 ' CG2' HG23 ' A' ' 62' ' ' VAL . 88.9 t -39.18 126.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.443 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.9 t70 -46.04 142.42 3.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.9 Cg_endo -69.77 -34.93 13.57 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.8 p -57.27 -35.99 70.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.8 t -66.86 139.42 95.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.22 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.625 2.217 . . . . 0.0 112.36 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.9 mt -46.6 -33.97 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.1 t -39.13 -45.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 t -58.48 -46.95 85.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -54.53 126.08 54.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.756 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.36 42.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.48 -38.84 2.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.7 m -56.82 113.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.699 0.285 . . . . 0.0 111.13 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -119.31 166.59 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.56 HG11 HG21 ' A' ' 46' ' ' ILE . 70.3 t -84.51 102.04 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.538 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 71.4 t80 -34.47 127.05 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.538 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 13.3 mt-10 35.24 -147.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -97.8 31.57 2.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -73.29 82.66 1.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.433 ' ND2' HD12 ' A' ' 46' ' ' ILE . 15.2 p-10 -159.92 88.91 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.3 p -115.73 142.2 47.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.435 ' O ' HD23 ' A' ' 70' ' ' LEU . 85.1 m -101.61 137.38 40.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 69' ' ' THR . 24.0 mt -124.16 130.72 53.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -111.14 152.08 27.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -149.32 105.24 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.519 HG22 ' CG ' ' A' ' 80' ' ' ASN . 13.0 p -107.08 157.94 17.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -146.95 145.93 29.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.632 HG23 ' O ' ' A' ' 75' ' ' ILE . 2.6 tp -75.5 52.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -135.57 109.64 8.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 42.07 40.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.3 m120 46.16 54.92 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -93.38 116.66 29.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.519 ' CG ' HG22 ' A' ' 73' ' ' THR . 36.4 m-20 -123.5 132.48 53.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -117.96 174.02 6.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -150.14 133.11 16.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 150' ' ' TYR . 0.5 OUTLIER -119.78 119.47 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.6 mt -111.58 131.06 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.508 HD13 ' HB3' ' A' ' 128' ' ' LYS . 86.9 mt -130.73 105.3 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -122.15 146.51 47.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.0 tt -106.23 116.73 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.3 mt -101.68 163.52 12.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.539 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 22.3 tt0 -148.29 125.0 11.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 94' ' ' PHE . 4.4 p30 -94.5 170.39 9.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 m -74.56 -3.83 33.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.545 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 3.2 m120 -95.49 37.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 mtp-105 40.97 34.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.545 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 20.4 m-85 -131.01 121.9 25.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.694 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 26.2 m-85 -93.57 161.96 14.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.702 HG21 HD11 ' A' ' 112' ' ' ILE . 89.0 m -144.27 118.76 9.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.168 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.5 m -84.65 105.13 15.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -86.99 126.71 34.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -122.82 124.93 44.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -132.3 108.96 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.466 ' NE1' ' HB2' ' A' ' 109' ' ' GLN . 26.7 p90 -123.1 161.97 23.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.28 -167.58 31.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -73.88 136.53 43.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.5 t -53.0 117.58 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 115.93 -39.38 2.75 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -92.16 173.61 7.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.7 t -75.24 -42.7 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.3 -165.77 50.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.466 ' HB2' ' NE1' ' A' ' 101' ' ' TRP . 19.9 mt-30 -70.8 158.71 35.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.0 p -120.93 119.05 31.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -135.71 122.32 20.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.702 HD11 HG21 ' A' ' 96' ' ' THR . 6.8 tt -124.28 150.34 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.438 ' O ' HG23 ' A' ' 96' ' ' THR . 11.0 m120 -139.39 132.62 29.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -112.37 122.76 48.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -115.27 136.59 52.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 29.9 p -76.85 -34.43 57.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -102.62 125.09 49.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.694 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 22.4 tp -47.77 -54.91 10.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -46.64 -62.16 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -40.83 -42.99 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.48 -44.11 92.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -58.47 -42.14 86.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 21.0 mtpp -55.9 -49.76 72.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -48.47 80.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.469 ' CE2' HG22 ' A' ' 85' ' ' ILE . 5.4 t80 -58.46 -61.14 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.31 -44.09 88.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -54.6 -54.9 35.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.508 ' HB3' HD13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -56.97 -54.07 50.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -52.92 -57.09 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 134' ' ' LYS . 11.8 ttt-85 -62.81 -31.24 72.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -73.42 -25.32 60.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -97.19 -17.85 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.563 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 43.5 p -124.53 13.19 8.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 130' ' ' ARG . 37.5 mtpt 34.14 36.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 133' ' ' THR . 41.7 m-80 -137.41 163.84 30.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -96.68 130.9 43.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -51.74 -41.85 61.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.62 83.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.639 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 14.5 mt-10 -97.08 35.78 1.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.1 ptt85 -61.43 -16.78 50.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -59.47 -51.02 71.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' HIS . . . . . 0.639 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -91.42 34.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.768 ' CE2' HD23 ' A' ' 152' ' ' LEU . 7.6 t80 -56.84 118.23 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 2.6 p -98.88 120.53 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.3 p -89.92 101.01 13.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -82.57 149.84 61.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.552 0.691 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 123.57 10.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 103.1 -43.06 1.74 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.482 ' HZ3' ' HD2' ' A' ' 134' ' ' LYS . 2.9 mmmm -72.44 -174.9 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 83' ' ' TYR . 16.5 m-85 -73.2 176.09 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.2 p -135.76 157.07 47.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.768 HD23 ' CE2' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -95.58 114.03 25.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.657 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -125.38 174.19 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.581 ' O ' HG12 ' A' ' 155' ' ' VAL . 11.2 pt-20 -123.62 22.97 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.763 HG22 ' H ' ' A' ' 156' ' ' GLN . 1.4 p 44.85 -175.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' GLN . . . . . 0.763 ' H ' HG22 ' A' ' 155' ' ' VAL . 56.8 mt-30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.4 mm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.82 0.343 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 47' ' ' ARG . 23.9 mm -116.74 157.1 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.448 ' N ' HG22 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -136.75 118.0 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.499 HG12 ' OG ' ' A' ' 55' ' ' SER . 63.5 t -49.72 112.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -38.17 136.8 0.8 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.571 0.701 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -23.99 29.89 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.254 . . . . 0.0 112.35 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.528 HG21 ' NH1' ' A' ' 100' ' ' ARG . 46.3 p -69.94 -29.28 66.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.66 132.74 92.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.14 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.71 2.274 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.19 -10.76 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.499 ' OG ' HG12 ' A' ' 48' ' ' VAL . 45.5 m -61.59 -47.08 87.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.3 t -53.08 -42.29 65.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -57.95 130.86 83.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.594 0.712 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 130.61 19.73 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.57 -36.85 4.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.1 m -59.71 104.63 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 0.0 111.153 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -120.76 177.42 5.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.444 HG23 HG22 ' A' ' 48' ' ' VAL . 62.1 t -91.13 116.62 32.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 49.0 t80 -55.95 114.5 1.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 9.8 mt-10 54.84 -142.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -107.28 38.01 2.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -79.47 77.37 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -154.85 104.24 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.5 p -128.67 134.35 48.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.9 m -96.24 132.79 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.9 mt -117.85 142.94 46.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -119.07 157.08 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.406 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 35.8 tp60 -155.39 110.42 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -124.14 152.92 42.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -141.19 159.18 42.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 75' ' ' ILE . 15.4 tt -82.49 53.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.57 111.69 7.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 m120 42.87 40.51 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.475 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 10.1 m-80 46.98 53.86 9.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -77.26 113.46 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.658 ' C ' HG23 ' A' ' 104' ' ' VAL . 0.8 OUTLIER -122.9 120.84 34.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -118.39 179.14 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -157.91 131.43 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.579 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 1.7 t80 -118.4 123.17 44.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 79.5 mt -114.13 140.64 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.481 HG22 ' CD2' ' A' ' 125' ' ' PHE . 81.0 mt -142.67 109.0 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -124.38 156.7 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.545 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.9 tt -114.46 107.18 15.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 23.2 mt -93.11 154.24 18.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -132.12 117.88 18.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -85.58 170.08 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 m -65.3 -30.54 71.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.584 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 31.5 m-80 -83.4 46.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 92' ' ' ASN . 9.9 ptm180 35.04 34.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.0 m-85 -115.0 118.1 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.832 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 6.7 m-85 -90.82 156.61 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.501 HG21 HD11 ' A' ' 112' ' ' ILE . 51.9 m -143.95 118.54 9.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.94 105.85 14.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 27.3 t-105 -85.98 124.05 32.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -120.55 140.55 51.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.528 ' NH1' HG21 ' A' ' 51' ' ' THR . 37.9 ttt180 -148.28 111.71 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 33.7 p90 -130.44 165.27 22.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.33 -138.24 6.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -91.39 128.74 37.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.658 HG23 ' C ' ' A' ' 80' ' ' ASN . 64.8 t -49.96 124.27 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.47 -42.82 1.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -93.8 170.91 9.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.1 t -69.17 -39.19 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.03 -156.67 53.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.551 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -59.67 174.18 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.8 p -144.12 120.36 10.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.52 132.63 23.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.501 HD11 HG21 ' A' ' 96' ' ' THR . 7.6 tt -131.63 137.78 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.506 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 17.7 m-80 -123.54 120.65 33.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -102.01 116.87 33.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 113' ' ' ASN . 80.1 m-85 -109.44 128.59 55.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 16.8 p -69.66 -44.4 70.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -90.75 149.78 21.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.832 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 36.5 tp -68.18 -55.49 12.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -51.62 -46.96 63.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.01 -43.91 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . . . -65.62 -47.95 73.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -54.81 -42.79 72.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -56.53 -44.7 81.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -67.45 -48.88 65.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.481 ' CD2' HG22 ' A' ' 85' ' ' ILE . 5.0 t80 -57.59 -54.67 44.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.82 -50.73 71.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 2.4 tmmm? -48.07 -57.32 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.462 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -53.2 -56.04 19.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.961 179.807 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -50.61 -59.63 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 134' ' ' LYS . 37.9 ttt180 -58.81 -31.97 68.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -71.71 -28.99 64.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -95.56 -20.17 19.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.496 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 46.8 p -117.02 9.68 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 130' ' ' ARG . 37.1 mtpt 35.28 38.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 144' ' ' VAL . 3.4 m-80 -143.61 161.55 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -84.1 139.05 32.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -66.91 -33.99 76.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.16 -43.64 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.554 ' HB2' ' CE1' ' A' ' 142' ' ' HIS . 9.3 mt-10 -90.28 35.69 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -55.96 -12.89 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.8 -42.45 99.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' HIS . . . . . 0.618 ' O ' HG23 ' A' ' 144' ' ' VAL . 0.8 OUTLIER -102.08 39.18 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.496 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 60.9 t80 -49.56 92.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 142' ' ' HIS . 46.8 t -84.61 107.26 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 t -86.3 150.27 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -126.53 152.15 73.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.587 0.708 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 112.49 3.09 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.306 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 116.4 -31.23 6.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -85.17 -176.29 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.327 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 83' ' ' TYR . 20.2 m-85 -79.07 160.12 27.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.3 p -117.82 166.49 12.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 35.8 tp -106.35 113.47 27.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.562 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -119.43 173.87 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.578 ' O ' HG12 ' A' ' 155' ' ' VAL . 12.8 pt-20 -126.41 18.89 7.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.813 HG22 ' H ' ' A' ' 156' ' ' GLN . 1.5 p 44.9 -174.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' GLN . . . . . 0.813 ' H ' HG22 ' A' ' 155' ' ' VAL . 20.9 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.502 HG21 HH21 ' A' ' 47' ' ' ARG . 30.0 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.79 0.329 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.56 HG21 HG11 ' A' ' 62' ' ' VAL . 28.9 mm -118.65 144.78 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.502 HH21 HG21 ' A' ' 45' ' ' ILE . 26.1 mmt85 -130.74 112.49 13.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.414 HG22 HG23 ' A' ' 62' ' ' VAL . 86.1 t -43.01 116.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.446 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.1 t70 -40.99 142.64 0.82 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.583 0.706 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.446 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.4 Cg_endo -69.79 -44.86 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.5 p -55.01 -28.93 55.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.5 t -68.06 135.94 91.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.728 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.642 ' HB3' HG21 ' A' ' 60' ' ' THR . 88.9 mt -42.52 -36.94 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 p -41.29 -45.83 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.4 m -55.77 -47.1 77.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -58.36 127.1 80.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.53 28.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.75 -30.09 11.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.642 HG21 ' HB3' ' A' ' 54' ' ' LEU . 92.4 m -61.98 110.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 111.093 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -126.6 152.78 46.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.56 HG11 HG21 ' A' ' 46' ' ' ILE . 95.1 t -69.0 113.99 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 49.8 t80 -53.04 112.78 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.557 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 8.5 mt-10 58.81 -141.39 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -109.17 43.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -88.31 80.99 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -162.29 121.55 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.2 m -161.25 156.07 23.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.6 m -106.11 144.77 32.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.9 mt -121.86 142.11 50.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -124.73 144.42 50.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.481 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 6.2 tp60 -146.33 113.62 6.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.6 p -117.32 157.33 26.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -149.1 148.1 29.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 75' ' ' ILE . 6.9 tt -75.56 51.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.138 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -134.05 108.92 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 42.4 41.1 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 48.82 54.98 9.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.429 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 4.9 t-20 -82.64 112.41 19.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 79' ' ' ASN . 2.6 m-20 -131.64 123.88 28.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -132.77 172.06 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -139.6 151.63 46.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -133.59 129.94 37.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.507 HD12 ' HB3' ' A' ' 100' ' ' ARG . 14.5 mt -115.57 140.53 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.588 HG22 ' CD2' ' A' ' 125' ' ' PHE . 31.1 mt -142.47 109.42 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -130.14 145.31 51.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.51 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.7 tt -105.31 115.66 30.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.615 HD12 HD12 ' A' ' 54' ' ' LEU . 23.9 mt -106.07 161.61 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.495 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 3.5 tm0? -144.9 129.13 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -96.03 171.35 8.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 t -83.79 28.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -122.87 23.57 9.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 59.61 25.0 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -127.24 131.81 50.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.579 ' CE2' HD13 ' A' ' 118' ' ' LEU . 53.1 m-85 -101.12 154.16 18.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.7 m -134.08 127.49 32.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.14 111.28 21.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -89.69 119.67 30.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -122.13 149.39 43.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.58 ' NH1' HG12 ' A' ' 107' ' ' VAL . 14.6 ttm-85 -154.88 139.72 17.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 33.9 p90 -148.78 176.43 10.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.15 -166.57 27.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -76.64 137.65 39.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.918 0.389 . . . . 0.0 110.825 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.5 t -56.22 124.64 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.03 -42.32 1.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -94.54 168.33 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.58 HG12 ' NH1' ' A' ' 100' ' ' ARG . 22.6 t -67.9 -47.2 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.57 -150.36 36.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.427 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 9.2 mm100 -87.55 -176.22 5.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 79.7 p -155.42 144.52 20.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -150.56 145.29 25.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.4 tt -137.42 137.16 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.138 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -122.73 130.88 53.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -103.32 132.97 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -125.13 141.63 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 28.6 p -78.69 -40.25 34.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -96.57 148.0 23.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.579 HD13 ' CE2' ' A' ' 95' ' ' PHE . 15.6 tp -70.91 -52.29 20.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -51.18 -52.14 47.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -45.33 -43.95 11.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.49 -48.62 71.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -54.65 -43.94 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -55.67 -50.19 70.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.12 -44.67 96.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.588 ' CD2' HG22 ' A' ' 85' ' ' ILE . 3.9 t80 -59.92 -58.82 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -62.33 -39.41 92.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -56.26 -54.71 42.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 11.7 tppt? -58.22 -53.87 53.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -57.3 -64.8 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -52.51 -16.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 127' ' ' LYS . 7.7 mm-40 -91.02 -26.86 18.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.511 ' HD2' ' CD1' ' A' ' 150' ' ' TYR . 41.2 mmtt -95.73 -19.77 19.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.466 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 44.9 p -115.64 -6.95 12.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.403 ' CD ' ' HG3' ' A' ' 149' ' ' LYS . 56.3 mtpt 51.3 39.35 23.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -150.14 141.42 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -63.25 139.01 58.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -64.87 -33.81 76.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.25 -38.08 68.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 12.8 mt-10 -92.11 35.23 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.4 ptt85 -59.28 -20.93 58.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -53.2 -45.95 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -98.78 40.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.466 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 60.2 t80 -57.36 111.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.467 ' O ' ' CD2' ' A' ' 146' ' ' HIS . 89.9 t -98.28 109.9 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 84.5 p -79.28 99.46 7.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 144' ' ' VAL . 8.8 m-70 -81.89 142.66 48.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.584 0.707 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.23 4.0 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.242 . . . . 0.0 112.367 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 119.44 -39.03 2.62 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.403 ' HG3' ' CD ' ' A' ' 134' ' ' LYS . 20.9 mmmt -83.04 -179.25 7.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.511 ' CD1' ' HD2' ' A' ' 132' ' ' LYS . 30.2 m-85 -72.97 160.47 32.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 17.4 p -117.04 160.69 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.171 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 35.0 tp -103.51 107.26 18.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.654 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -110.43 168.67 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.833 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.796 ' O ' HG12 ' A' ' 155' ' ' VAL . 9.3 pt-20 -115.98 12.35 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.6 p 50.49 172.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' GLN . . . . . 0.69 ' H ' HG22 ' A' ' 155' ' ' VAL . 25.1 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.3 p -174.28 -179.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.873 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m 62.42 143.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.89 160.94 10.92 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -177.48 140.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 110.827 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 t 53.08 100.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.48 -106.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 52.51 173.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.313 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -109.73 111.01 22.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -65.23 117.88 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.426 ' HD3' ' N ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -84.15 148.84 26.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.426 ' N ' ' HD3' ' A' ' 44' ' ' ARG . 41.3 mm -118.35 140.53 41.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.681 HG21 HG11 ' A' ' 62' ' ' VAL . 41.2 mm -118.99 147.69 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -125.71 119.65 28.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.1 t -48.79 122.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 4.1 t70 -40.61 141.4 0.91 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.5 Cg_endo -69.75 -47.79 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.1 p -52.38 -26.72 13.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.5 t -73.59 138.92 77.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.28 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.63 ' HB3' HG21 ' A' ' 60' ' ' THR . 22.5 mt -46.67 -34.6 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.2 p -40.68 -48.28 2.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 t -62.55 -43.1 99.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -55.89 129.3 71.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.631 0.729 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.22 32.47 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.58 -32.24 7.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.63 HG21 ' HB3' ' A' ' 54' ' ' LEU . 98.0 m -63.65 109.61 1.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 0.0 111.155 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -123.04 166.84 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.681 HG11 HG21 ' A' ' 46' ' ' ILE . 80.5 t -83.53 106.25 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.581 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 82.9 t80 -44.51 119.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.581 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 15.3 mt-10 50.64 -144.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.23 30.61 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.562 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 30.7 m-85 -75.02 74.73 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.484 ' ND2' HD12 ' A' ' 46' ' ' ILE . 2.5 p-10 -146.02 103.98 3.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.0 p -133.23 136.34 45.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.0 m -100.98 136.04 41.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.3 mt -119.78 142.14 48.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -118.75 160.19 22.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -153.43 107.82 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -110.31 150.27 28.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -146.24 142.33 28.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 75' ' ' ILE . 10.0 tt -75.73 51.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -133.65 107.78 8.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 41.86 40.94 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 46.73 54.55 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -98.37 119.49 37.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.404 ' HB2' ' CG2' ' A' ' 104' ' ' VAL . 0.8 OUTLIER -131.19 145.74 52.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CA ' HG23 ' A' ' 104' ' ' VAL . 30.1 mttm -132.35 158.13 42.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -131.33 135.04 46.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -118.44 125.07 49.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 79.9 mt -119.27 133.16 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.427 HG22 ' CD2' ' A' ' 125' ' ' PHE . 58.4 mt -133.15 102.94 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -120.36 147.79 44.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.3 tt -107.3 115.4 30.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.0 mt -103.06 163.42 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -147.27 125.9 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -95.09 168.9 10.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t -72.4 -1.47 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.476 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 3.3 m120 -99.89 37.14 1.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 40.39 39.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 21.3 m-85 -133.15 123.07 24.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.875 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 40.1 m-85 -91.75 160.34 15.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.45 HG21 HD11 ' A' ' 112' ' ' ILE . 17.8 m -142.29 122.09 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 34.1 m -85.63 106.31 16.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -86.54 113.26 22.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -118.75 119.12 33.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -126.25 133.07 51.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.4 p90 -141.38 172.79 12.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.5 -137.74 5.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -110.47 128.19 55.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.404 ' CG2' ' HB2' ' A' ' 80' ' ' ASN . 45.0 t -49.55 115.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.47 -34.97 4.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -103.13 174.17 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 66.3 t -69.09 -45.82 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.23 -161.68 53.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -79.64 -176.02 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.5 p -155.34 121.97 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -127.73 140.62 51.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.45 HD11 HG21 ' A' ' 96' ' ' THR . 9.1 tt -135.55 140.62 44.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 96' ' ' THR . 23.1 m120 -129.32 135.47 48.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -107.07 126.93 53.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -120.66 132.1 54.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.2 p -73.69 -39.84 64.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -93.6 146.94 23.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.875 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 34.1 tp -69.93 -61.9 1.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -45.67 -49.7 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -45.31 -49.31 12.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.67 93.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -56.69 -47.78 79.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -51.97 -39.14 58.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.41 -40.82 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 66' ' ' TYR . 5.3 t80 -62.82 -46.91 85.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -74.06 -49.95 21.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 127' ' ' LYS . 0.2 OUTLIER -50.68 -55.79 14.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 13.7 tppt? -57.86 -57.4 12.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -47.36 -58.18 4.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 134' ' ' LYS . 11.1 ttt85 -60.19 -30.78 69.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.25 -22.89 61.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -99.88 -24.69 14.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.448 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 70.6 p -111.67 4.44 18.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 130' ' ' ARG . 15.2 mtpp 42.19 33.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 5.6 m-80 -140.31 167.87 21.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -95.41 136.32 35.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -59.12 -36.55 75.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.74 -42.13 74.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 13.9 mt-10 -91.61 35.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -60.46 -16.1 33.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.5 -44.76 89.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -98.77 35.85 1.77 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 41.5 t80 -54.96 107.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 99.6 t -90.06 120.72 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.4 p -89.34 110.18 21.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -89.9 148.33 39.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 111.66 2.88 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 109.37 -36.54 4.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -68.66 -177.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -82.59 141.83 32.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 19.3 p -100.21 166.04 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.2 tt -110.4 114.94 28.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.559 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -116.24 169.98 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.796 ' O ' HG12 ' A' ' 155' ' ' VAL . 10.3 pt-20 -119.13 14.78 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.9 p 50.43 172.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.681 ' H ' HG22 ' A' ' 155' ' ' VAL . 34.2 mt-30 -128.66 126.78 40.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.067 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 36' ' ' SER . 40.1 t -158.03 140.57 14.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 110.851 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 35' ' ' SER . 1.4 m 77.99 -51.47 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.77 -154.03 25.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t 49.04 94.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.797 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -66.37 90.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -133.1 -71.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.47 132.17 47.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.733 0.301 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -77.18 119.78 21.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -95.81 125.08 40.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.478 ' O ' HD13 ' A' ' 45' ' ' ILE . 19.4 ttp180 -83.7 168.75 15.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.478 HD13 ' O ' ' A' ' 44' ' ' ARG . 31.1 mm -138.51 151.2 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.74 HG21 HG11 ' A' ' 62' ' ' VAL . 46.0 mm -122.71 138.34 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -112.59 121.39 44.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.48 HG22 HG23 ' A' ' 62' ' ' VAL . 67.0 t -52.14 110.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 2.4 t70 -35.28 142.03 0.27 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.0 Cg_endo -69.76 -41.07 4.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.498 HG21 ' CD ' ' A' ' 100' ' ' ARG . 37.0 p -51.26 -27.53 9.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.3 t -78.45 136.83 59.82 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.604 0.716 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -47.61 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.734 ' HB3' HG21 ' A' ' 60' ' ' THR . 41.2 mt -45.23 -36.38 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -39.83 -47.17 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.4 t -62.03 -44.02 97.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -57.33 127.96 77.81 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.98 20.21 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.219 . . . . 0.0 112.36 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.55 -36.54 4.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.734 HG21 ' HB3' ' A' ' 54' ' ' LEU . 93.3 m -64.12 109.61 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 111.164 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -126.51 154.1 44.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.74 HG11 HG21 ' A' ' 46' ' ' ILE . 90.8 t -66.97 105.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 59.4 t80 -47.87 115.47 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.558 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 13.1 mt-10 55.02 -146.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.1 34.22 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.4 ' HD1' ' CE1' ' A' ' 125' ' ' PHE . 23.3 m-85 -77.9 79.39 4.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.2 t30 -152.49 101.1 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.9 p -125.19 141.92 51.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.7 m -102.19 133.21 47.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.7 mt -115.86 146.04 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -130.67 148.33 52.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.545 ' OE1' ' CZ ' ' A' ' 150' ' ' TYR . 13.2 pt20 -150.59 124.52 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.5 p -124.85 155.49 39.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -144.84 148.9 34.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 75' ' ' ILE . 9.0 tt -75.53 50.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.85 108.61 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 42.42 40.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 30.9 m120 48.08 54.98 9.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -81.51 112.38 18.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -132.66 127.32 34.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -129.92 178.85 6.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -145.32 135.58 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -119.63 123.7 44.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.6 mt -117.42 138.27 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.504 HG22 ' CD2' ' A' ' 125' ' ' PHE . 50.1 mt -137.42 110.5 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -126.82 146.25 50.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.543 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.4 tt -104.75 107.55 18.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.3 mt -94.12 151.69 19.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.451 ' C ' ' OE1' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -118.72 143.38 46.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.48 164.85 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 t -66.74 -21.4 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.44 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 2.4 m-80 -85.05 45.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' ASN . 8.0 ptm180 36.6 35.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.44 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 17.6 m-85 -121.71 -175.48 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.605 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 58.8 m-85 -148.93 164.65 33.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.522 HG21 HD11 ' A' ' 112' ' ' ILE . 48.6 m -142.83 123.28 13.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.4 m -83.97 103.99 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 -89.75 110.62 21.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -113.64 117.75 32.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.498 ' CD ' HG21 ' A' ' 51' ' ' THR . 36.8 ttp85 -123.16 111.96 17.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.544 ' CZ3' ' HB2' ' A' ' 111' ' ' LYS . 27.4 p90 -121.6 163.91 18.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.07 -171.99 33.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.437 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -72.01 139.87 48.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.0 t -55.9 115.04 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 116.58 -39.06 2.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.55 170.19 10.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.0 t -69.03 -46.97 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.33 -167.72 43.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -70.53 176.54 4.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.6 p -136.17 118.43 15.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.544 ' HB2' ' CZ3' ' A' ' 101' ' ' TRP . 9.5 tptp -129.95 134.6 47.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.522 HD11 HG21 ' A' ' 96' ' ' THR . 14.0 tt -141.83 134.38 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -128.56 135.34 49.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -106.17 121.11 43.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -115.76 134.44 55.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.421 ' HA ' ' CD1' ' A' ' 94' ' ' PHE . 54.5 p -81.13 -37.87 28.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 36.6 mtt-85 -91.88 113.6 25.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.605 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 18.3 tp -43.55 -53.23 5.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -49.25 -55.61 12.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.42 -48.23 5.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.02 -48.52 81.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -55.67 -47.74 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -55.56 -44.01 76.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -66.89 -36.57 82.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.504 ' CD2' HG22 ' A' ' 85' ' ' ILE . 6.4 t80 -67.41 -46.47 73.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -74.04 -38.61 63.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.28 -56.94 15.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -56.24 -49.93 72.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -56.4 -56.59 19.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 134' ' ' LYS . 13.9 ttt85 -60.93 -30.9 70.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.04 -24.8 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.577 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 23.6 mmtp -97.4 -26.83 14.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.459 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 72.4 p -112.37 10.55 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 130' ' ' ARG . 31.2 mtpt 35.04 39.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -143.74 166.7 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -94.0 138.92 31.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -61.62 -35.43 77.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.4 -31.79 71.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.577 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 31.6 mt-10 -86.29 24.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -51.73 -25.48 7.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -56.64 -50.29 72.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.4 p-80 -111.06 46.36 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 24.7 t80 -56.52 115.47 2.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 92.2 t -92.42 143.15 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.9 t -116.66 150.97 37.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -132.32 151.8 78.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.552 0.692 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 124.54 11.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 101.87 -40.19 2.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -76.82 -175.5 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.577 ' CD2' ' HD2' ' A' ' 132' ' ' LYS . 24.8 m-85 -80.37 157.16 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.5 p -117.93 166.6 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 41.8 tp -106.7 111.88 24.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.54 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -117.61 175.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.804 ' O ' HG12 ' A' ' 155' ' ' VAL . 13.9 pt-20 -124.47 17.98 8.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.804 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.5 p 50.45 172.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.692 ' H ' HG22 ' A' ' 155' ' ' VAL . 18.7 pt20 -131.55 126.42 34.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -149.49 -56.27 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.1 m 57.31 168.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.36 126.51 3.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.2 p -156.54 171.16 20.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -150.54 162.27 40.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.55 -142.88 12.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.27 41.47 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -69.63 135.29 49.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.42 151.3 24.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.527 ' O ' HD13 ' A' ' 45' ' ' ILE . 27.5 ttt85 -55.84 167.71 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.579 HG21 HH21 ' A' ' 47' ' ' ARG . 27.1 mm -139.62 141.4 34.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.678 HG21 HG11 ' A' ' 62' ' ' VAL . 24.9 mm -114.91 159.61 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.579 HH21 HG21 ' A' ' 45' ' ' ILE . 8.9 mmt180 -141.72 116.95 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.497 ' CG2' HG23 ' A' ' 62' ' ' VAL . 94.8 t -43.58 107.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -34.61 142.51 0.23 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 110.878 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.4 Cg_endo -69.78 -36.22 11.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.331 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 p -55.76 -34.87 65.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.537 ' HA ' ' CH2' ' A' ' 98' ' ' TRP . 9.3 t -67.68 138.08 93.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.63 0.728 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.381 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.696 ' HB3' HG21 ' A' ' 60' ' ' THR . 96.1 mt -46.54 -34.84 5.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.5 p -40.16 -44.72 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.3 t -59.89 -44.81 94.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.821 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -58.03 130.04 82.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.06 41.94 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.7 -39.85 2.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.696 HG21 ' HB3' ' A' ' 54' ' ' LEU . 89.5 m -57.98 104.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.716 0.293 . . . . 0.0 111.146 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -117.89 167.63 11.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.678 HG11 HG21 ' A' ' 46' ' ' ILE . 91.2 t -84.2 102.27 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 67.9 t80 -40.91 125.05 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.577 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 13.5 mt-10 41.4 -146.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -107.47 39.86 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.549 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 43.5 m-85 -84.59 78.89 9.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.487 HD22 HG23 ' A' ' 46' ' ' ILE . 1.6 t30 -157.32 106.54 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.3 p -133.2 143.16 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.5 m -100.98 135.78 41.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.0 mt -119.95 143.61 47.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -122.32 150.99 41.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -146.44 107.43 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.8 p -110.01 156.91 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -148.51 146.3 28.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 75' ' ' ILE . 10.0 tt -75.71 52.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -134.2 108.58 8.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 41.95 40.77 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 47.43 54.78 9.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -94.75 114.88 26.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -123.08 141.31 52.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' N ' HG23 ' A' ' 104' ' ' VAL . 18.3 mtpp -136.13 167.37 21.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.54 ' HE2' HD11 ' A' ' 84' ' ' ILE . 5.4 p90 -146.12 150.54 36.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -125.05 136.61 53.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.54 HD11 ' HE2' ' A' ' 82' ' ' PHE . 18.1 mt -120.05 140.35 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.625 HG22 ' CD2' ' A' ' 125' ' ' PHE . 55.5 mt -143.07 106.86 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -127.98 141.91 51.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 tt -103.95 109.55 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.0 mt -94.57 155.02 17.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.447 ' HG3' ' CE2' ' A' ' 95' ' ' PHE . 56.1 tt0 -127.85 131.55 49.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -100.14 170.73 8.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 66.5 m -71.63 -31.01 66.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.587 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 44.9 m-20 -85.49 49.07 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' ASN . 12.6 ptm180 34.59 35.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 22.4 m-85 -118.13 117.53 29.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.546 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 74.2 m-85 -94.11 159.67 15.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 113' ' ' ASN . 47.5 m -140.63 125.78 18.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 113' ' ' ASN . 8.7 m -82.26 102.57 11.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.537 ' CH2' ' HA ' ' A' ' 52' ' ' CYS . 39.3 t-105 -87.44 115.54 24.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -120.41 141.75 49.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.521 ' HB3' HD12 ' A' ' 84' ' ' ILE . 15.2 ttm-85 -146.8 135.61 22.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 21.6 p90 -148.35 179.17 7.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.46 -141.26 9.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -100.17 137.75 38.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 81' ' ' LYS . 99.0 t -59.76 112.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.67 -30.68 5.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -112.15 150.11 31.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.557 ' CG1' ' N ' ' A' ' 108' ' ' GLY . 1.4 p -41.78 -47.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.557 ' N ' ' CG1' ' A' ' 107' ' ' VAL . . . 82.39 -150.87 29.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.446 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.422 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 9.9 mm-40 -86.62 -174.8 5.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 66.3 p -150.3 139.87 21.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -153.47 124.75 7.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.0 tt -123.67 136.57 59.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.619 ' O ' HG23 ' A' ' 96' ' ' THR . 3.3 m-80 -122.18 136.8 54.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -107.3 133.63 51.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -133.74 133.17 41.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.5 p -78.67 -36.76 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -92.7 139.09 30.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.546 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 18.8 tp -64.73 -63.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -43.43 -52.55 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.25 -49.48 6.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.89 96.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -57.82 -45.24 86.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 38.0 mtpt -57.35 -45.16 84.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.84 -46.8 77.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.625 ' CD2' HG22 ' A' ' 85' ' ' ILE . 3.3 t80 -57.94 -53.67 55.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.2 -52.75 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -48.24 -56.14 8.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 14.3 tppt? -51.75 -45.65 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.413 ' CD2' ' N ' ' A' ' 130' ' ' ARG . 18.0 t80 -64.29 -66.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 134' ' ' LYS . 8.6 ttt-85 -49.3 -29.82 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -73.37 -31.52 63.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.563 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 40.4 mmtt -91.12 -22.62 20.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 82.6 p -113.83 6.08 16.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.168 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 130' ' ' ARG . 27.6 mtpp 39.2 39.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 3.9 m120 -144.86 163.26 34.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -91.06 134.05 34.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -56.52 -39.03 72.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.31 89.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.505 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 13.2 mt-10 -92.37 38.22 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 19.0 ptt-85 -63.18 -17.32 62.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.82 -47.2 80.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.505 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -94.45 34.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 74.6 t80 -52.01 116.13 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 95.8 t -99.13 128.03 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.2 p -96.93 109.52 22.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -93.15 153.03 41.72 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 120.36 7.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 97.37 -40.85 2.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.74 177.73 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.563 ' CD2' ' HD2' ' A' ' 132' ' ' LYS . 16.5 m-85 -79.04 142.21 36.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.6 p -101.41 166.54 10.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 44.4 tp -109.29 109.71 20.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.526 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -115.9 168.61 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.802 ' O ' HG12 ' A' ' 155' ' ' VAL . 10.4 pt-20 -118.1 17.24 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.802 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.1 p 50.58 173.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.692 ' H ' HG22 ' A' ' 155' ' ' VAL . 49.0 mt-30 -127.09 120.9 30.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.906 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.4 p -170.95 133.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.382 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.6 p 178.39 -59.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.93 -161.41 45.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.0 t -124.27 106.89 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 110.843 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.4 m -134.78 177.44 7.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -114.01 171.25 13.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.55 37.35 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.716 0.293 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.36 177.07 4.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mmtm -118.53 135.66 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.445 ' O ' HD13 ' A' ' 45' ' ' ILE . 19.8 ttt85 -94.17 157.87 15.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.445 HD13 ' O ' ' A' ' 44' ' ' ARG . 32.1 mm -137.62 140.92 40.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.471 HG21 HG11 ' A' ' 62' ' ' VAL . 48.3 mm -115.21 133.9 60.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -108.38 114.5 28.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.594 HG22 HG23 ' A' ' 62' ' ' VAL . 89.6 t -50.12 116.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -36.18 141.86 0.33 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.854 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.1 Cg_endo -69.8 -38.89 7.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.252 . . . . 0.0 112.361 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -56.38 -31.83 64.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.5 t -68.16 134.92 91.43 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.542 0.687 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -51.31 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' ASN . 53.6 mt -45.77 -33.42 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' LEU . 60.3 p -37.25 -42.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.4 t -66.28 -44.4 83.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' LEU . 47.3 m-20 -54.26 126.71 54.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.601 0.715 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 130.74 19.81 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.36 -34.15 5.87 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.1 m -59.47 104.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.738 0.304 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -117.93 157.55 26.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.616 HG22 HD23 ' A' ' 88' ' ' LEU . 94.4 t -80.79 109.56 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.565 ' HB3' HD22 ' A' ' 87' ' ' LEU . 63.9 t80 -45.39 119.6 2.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.54 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 9.2 mt-10 48.59 -144.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -105.67 44.35 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -87.79 78.85 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -157.3 105.66 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.4 m -139.78 164.08 30.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.6 m -118.4 146.61 44.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.501 ' HB3' ' CD1' ' A' ' 150' ' ' TYR . 50.9 mt -118.29 146.23 44.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -134.71 144.82 47.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.517 ' OE1' ' CE2' ' A' ' 150' ' ' TYR . 11.5 pt20 -151.79 125.45 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.5 p -125.38 158.21 34.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -149.52 148.57 29.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.544 HG23 ' O ' ' A' ' 75' ' ' ILE . 8.7 tt -75.52 51.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -134.6 108.84 8.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 42.59 41.14 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 m120 48.0 54.56 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.407 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 2.8 t-20 -81.27 112.66 18.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 79' ' ' ASN . 5.1 m-20 -133.42 123.38 25.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -132.88 174.84 9.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -143.9 159.28 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.416 ' HB3' HD12 ' A' ' 70' ' ' LEU . 2.1 t80 -142.5 124.08 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 89.3 mt -113.45 135.64 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 75.1 mt -137.88 108.32 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -121.74 158.28 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' A' ' 63' ' ' TYR . 1.4 tt -115.89 108.0 15.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.616 HD23 HG22 ' A' ' 62' ' ' VAL . 29.2 mt -95.65 157.42 15.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.557 ' HG3' ' CE2' ' A' ' 95' ' ' PHE . 22.1 tt0 -137.89 130.32 29.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -98.22 169.32 9.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.5 p -63.85 -32.73 74.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 6.3 m-20 -81.35 49.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 92' ' ' ASN . 1.3 ppt_? 32.13 36.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.3 m-85 -115.02 120.34 39.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.793 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 49.8 m-85 -92.89 160.81 14.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.8 m -147.24 120.58 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 5.5 m -86.12 109.44 18.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 49.6 t-105 -87.14 112.63 22.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -110.04 127.72 55.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -136.6 116.46 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -132.1 176.77 8.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.38 -124.22 1.98 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -119.31 156.54 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.0 t -70.24 121.73 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.78 29.97 9.41 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -160.29 154.72 23.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.4 t -57.47 -39.49 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.21 -171.36 36.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -59.25 173.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.943 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 m -142.15 118.93 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -136.3 124.57 23.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.6 tt -124.02 134.94 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -125.7 133.9 51.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -108.71 130.48 55.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -122.83 130.44 52.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.1 p -71.31 -41.95 69.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -92.42 145.93 24.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.793 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 30.4 tp -69.5 -59.55 2.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -45.01 -54.49 6.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -45.85 -47.35 15.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.26 -49.63 74.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -51.4 -46.95 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -53.98 -43.42 69.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.02 -37.92 86.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -69.15 -56.36 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -61.99 -38.75 89.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -63.62 -58.48 6.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 16.6 tppt? -60.13 -45.6 92.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -61.6 -48.43 80.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 134' ' ' LYS . 18.1 ttt-85 -67.94 -29.81 68.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.14 -22.04 60.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.451 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 69.2 mmtt -99.3 -27.54 13.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 65.7 p -108.67 -1.73 19.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 130' ' ' ARG . 16.8 mtpp 50.13 36.86 13.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 4.5 m-80 -148.51 162.04 40.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -86.02 135.65 33.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -59.19 -34.0 71.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.74 -32.23 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.488 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 15.9 mt-10 -85.11 27.48 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -53.37 -24.76 13.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.3 -49.97 72.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.488 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.8 p-80 -108.48 50.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -71.7 112.57 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.482 HG13 ' NE2' ' A' ' 146' ' ' HIS . 7.6 p -90.78 132.91 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 31.3 p -99.39 99.23 10.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.482 ' NE2' HG13 ' A' ' 144' ' ' VAL . 54.0 m-70 -80.33 149.44 68.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.571 0.701 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 131.12 20.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 0.0 112.358 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 92.55 -40.52 2.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -71.85 175.43 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.517 ' CE2' ' OE1' ' A' ' 72' ' ' GLN . 12.2 m-85 -74.01 137.45 43.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.4 p -101.72 166.46 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 38.7 tp -105.78 108.84 20.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.55 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -111.78 178.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.811 ' O ' HG12 ' A' ' 155' ' ' VAL . 9.1 pt-20 -130.87 16.01 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.3 p 50.71 172.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.679 ' H ' HG22 ' A' ' 155' ' ' VAL . 75.7 mt-30 -108.64 83.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.6 m -135.49 99.8 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 m -112.36 -55.38 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.15 -159.48 31.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 t -165.74 42.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.5 m -128.91 142.51 50.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.16 -132.13 2.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.453 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.58 89.52 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.746 0.308 . . . . 0.0 111.078 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -118.32 175.45 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.89 177.22 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -78.18 143.18 37.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 46' ' ' ILE . 50.4 mm -116.31 152.23 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.49 HG21 ' OE1' ' A' ' 86' ' ' GLN . 26.8 mm -122.02 143.68 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -113.99 111.92 22.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' ASP . 99.9 t -44.05 117.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -34.98 141.98 0.26 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.676 0.751 . . . . 0.0 110.805 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.3 Cg_endo -69.83 -31.46 20.19 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.731 2.288 . . . . 0.0 112.29 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.6 p -59.28 -38.19 79.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.152 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 38.3 t -67.67 136.93 92.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -50.03 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.618 ' CD1' HD11 ' A' ' 112' ' ' ILE . 63.5 mt -43.19 -34.99 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.1 p -40.81 -48.58 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.6 m -59.22 -45.59 90.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -55.39 128.35 67.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.613 0.721 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 134.5 28.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.371 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.99 -33.72 6.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.58 HG21 ' HB3' ' A' ' 54' ' ' LEU . 95.7 m -66.68 93.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 111.133 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -109.33 178.28 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.406 HG23 HG22 ' A' ' 48' ' ' VAL . 41.1 t -95.49 108.94 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 29.9 t80 -53.9 99.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 5.3 mt-10 72.48 -145.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' OD2' HD11 ' A' ' 46' ' ' ILE . 9.2 t70 -113.33 40.05 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.402 ' HD1' ' CE1' ' A' ' 125' ' ' PHE . 15.2 m-85 -80.42 75.54 7.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.3 t30 -145.58 108.23 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.0 p -131.48 138.62 49.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.4 m -98.85 132.92 43.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.1 mt -117.6 134.11 55.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -112.87 155.97 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.431 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 6.6 tp60 -150.64 107.08 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.502 HG22 ' CG ' ' A' ' 80' ' ' ASN . 10.9 p -109.36 156.11 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -145.73 146.54 31.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 75' ' ' ILE . 8.4 tp -75.66 52.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -135.35 109.27 8.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 42.12 40.69 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.4 m120 46.02 54.96 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -94.86 118.66 32.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.502 ' CG ' HG22 ' A' ' 73' ' ' THR . 21.7 m-20 -123.14 137.48 54.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.446 ' CA ' HG23 ' A' ' 104' ' ' VAL . 62.3 mttt -126.7 172.09 10.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -140.93 171.29 14.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -160.35 117.81 2.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 27.7 mt -114.17 139.26 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.494 HG22 ' CD2' ' A' ' 125' ' ' PHE . 43.1 mt -137.79 109.71 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.49 ' OE1' HG21 ' A' ' 46' ' ' ILE . 13.3 mt-30 -118.49 149.7 40.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 63' ' ' TYR . 4.0 tt -103.3 108.08 19.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.5 mt -95.17 148.61 22.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.432 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 20.0 tt0 -131.74 115.71 16.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.17 168.33 18.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.3 t -75.77 -19.52 58.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.458 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 28.8 m-20 -91.15 43.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.2 mtt85 42.16 40.78 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.458 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 20.6 m-85 -132.02 116.3 16.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.981 ' CE2' HD13 ' A' ' 118' ' ' LEU . 16.0 m-85 -92.33 167.55 11.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 113' ' ' ASN . 63.3 m -147.46 122.1 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.5 m -88.76 106.55 18.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.505 ' CZ2' ' HB2' ' A' ' 100' ' ' ARG . 44.5 t-105 -86.43 120.76 28.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -123.08 108.62 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.505 ' HB2' ' CZ2' ' A' ' 98' ' ' TRP . 22.8 ttt180 -116.46 128.76 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.481 ' CH2' ' HB2' ' A' ' 111' ' ' LYS . 17.6 p90 -144.14 175.04 10.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.76 -153.68 24.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -82.94 128.87 34.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.471 HG23 ' C ' ' A' ' 80' ' ' ASN . 87.0 t -49.36 124.17 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.24 -41.13 2.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -102.04 143.82 31.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 89.7 t -43.84 -46.17 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.08 -144.38 33.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -83.93 155.74 22.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.3 p -126.59 131.03 51.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.481 ' HB2' ' CH2' ' A' ' 101' ' ' TRP . 28.1 tptt -136.89 121.99 19.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.618 HD11 ' CD1' ' A' ' 54' ' ' LEU . 15.3 tt -125.85 135.8 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.588 ' O ' HG23 ' A' ' 96' ' ' THR . 15.8 m120 -123.38 140.46 52.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -109.89 133.23 53.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -131.08 125.78 34.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.3 p -67.84 -39.78 83.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.6 mtp85 -90.72 170.34 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.981 HD13 ' CE2' ' A' ' 95' ' ' PHE . 21.7 tp -94.61 -49.42 5.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.413 ' C ' ' HE3' ' A' ' 123' ' ' LYS . 67.3 mt-10 -53.89 -60.07 3.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -41.52 -46.36 3.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.2 86.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -59.49 -44.53 93.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.413 ' HE3' ' C ' ' A' ' 119' ' ' GLU . 35.4 mttt -56.22 -42.35 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -48.5 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.551 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 1.6 t80 -54.28 -48.62 71.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.21 -57.82 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -39.53 -55.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.8 tppt? -52.23 -44.59 64.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 133' ' ' THR . 9.2 t80 -68.66 -62.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.42 ' N ' ' CD1' ' A' ' 129' ' ' PHE . 37.8 ttp85 -49.2 -24.57 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -85.21 -34.15 22.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -84.0 -18.95 35.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.477 HG21 ' CE2' ' A' ' 129' ' ' PHE . 68.3 p -115.59 -13.74 11.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 60.35 40.32 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.412 HD21 ' CG1' ' A' ' 144' ' ' VAL . 26.6 m-80 -154.63 145.45 22.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -72.0 135.17 46.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -55.19 -38.5 68.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.84 -41.0 79.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.621 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 12.1 mt-10 -89.09 36.6 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -60.35 -23.05 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -50.39 -52.01 41.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.621 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.1 OUTLIER -90.7 36.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.598 ' CZ ' ' CB ' ' A' ' 152' ' ' LEU . 52.3 t80 -62.27 107.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.458 HG13 ' NE2' ' A' ' 146' ' ' HIS . 5.2 p -96.82 127.84 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 65.9 p -93.53 99.43 11.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.458 ' NE2' HG13 ' A' ' 144' ' ' VAL . 70.5 m-70 -80.79 145.52 57.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.549 0.69 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 114.85 3.83 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.682 2.255 . . . . 0.0 112.373 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 115.38 -38.57 3.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -80.71 178.84 8.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.431 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 30.7 m-85 -75.03 149.94 39.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.5 p -108.01 164.7 12.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.598 ' CB ' ' CZ ' ' A' ' 143' ' ' PHE . 35.2 tp -106.78 108.69 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.595 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.88 172.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.802 ' O ' HG12 ' A' ' 155' ' ' VAL . 15.3 pt-20 -121.81 14.35 10.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.802 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.0 p 50.44 172.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.686 ' H ' HG22 ' A' ' 155' ' ' VAL . 82.9 mt-30 -134.84 104.33 5.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 t 63.15 130.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.869 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.3 t -164.62 99.85 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.31 -138.76 6.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.1 t 61.66 118.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.7 t -48.2 131.36 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -81.48 -89.05 0.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.469 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 66.8 115.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.3 . . . . 0.0 111.123 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -50.86 146.57 5.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -93.84 126.54 39.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -60.96 139.19 58.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.0 mm -132.87 148.76 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.5 mm -120.17 139.26 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -113.32 122.97 49.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.459 HG11 ' HA ' ' A' ' 55' ' ' SER . 42.2 t -51.84 119.2 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -47.87 142.7 6.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.846 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.6 Cg_endo -69.71 -34.13 15.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.538 HG21 ' NE ' ' A' ' 100' ' ' ARG . 11.8 p -56.88 -39.7 74.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.5 t -66.11 137.35 95.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.619 0.723 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -50.88 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.638 2.225 . . . . 0.0 112.359 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.484 ' HB3' HG21 ' A' ' 60' ' ' THR . 73.8 mt -45.53 -34.84 3.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.459 ' HA ' HG11 ' A' ' 48' ' ' VAL . 6.3 t -39.45 -46.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.0 t -55.74 -47.55 76.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -56.46 130.66 76.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 141.18 44.68 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.351 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.38 -40.37 2.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.484 HG21 ' HB3' ' A' ' 54' ' ' LEU . 97.0 m -56.97 106.61 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.752 0.311 . . . . 0.0 111.134 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -123.32 158.58 30.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.546 HG22 HD23 ' A' ' 88' ' ' LEU . 94.1 t -74.06 102.65 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 76.4 t80 -36.96 124.36 0.89 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 18.4 mt-10 43.32 -146.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.06 41.58 1.45 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -83.05 70.46 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.2 t30 -146.94 100.49 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 p -121.1 141.19 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.9 m -101.59 135.57 42.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -120.71 140.71 51.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -119.25 151.75 37.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -150.1 106.4 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.3 p -115.34 155.42 27.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -148.86 148.21 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 75' ' ' ILE . 8.1 tt -75.55 51.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -134.85 108.82 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 42.44 40.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 m120 48.36 54.95 9.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -82.46 114.45 20.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.468 ' C ' HG23 ' A' ' 104' ' ' VAL . 9.0 m-20 -130.68 129.78 43.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.4 ' N ' HG23 ' A' ' 104' ' ' VAL . 35.8 mtmt -128.3 178.65 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -151.6 128.27 10.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -112.63 123.85 51.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.6 mt -118.32 131.14 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.0 mt -132.81 104.3 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -114.66 157.94 22.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.6 tt -120.68 103.55 9.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.546 HD23 HG22 ' A' ' 62' ' ' VAL . 13.4 mt -91.34 163.0 14.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -144.55 117.34 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.52 170.55 13.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.6 t -63.79 -26.02 68.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.57 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 3.3 m120 -85.47 47.3 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 31.98 36.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 22.0 m-85 -117.49 118.1 31.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 1.073 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 18.9 m-85 -91.94 165.04 13.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.829 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.412 HG21 HD11 ' A' ' 112' ' ' ILE . 68.6 m -150.03 120.91 7.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.64 104.51 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -86.62 116.73 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -116.33 132.18 56.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.538 ' NE ' HG21 ' A' ' 51' ' ' THR . 42.6 ttp85 -143.04 114.53 7.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 37.3 p90 -121.95 161.04 23.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 156.34 -173.99 34.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -69.57 136.7 51.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.468 HG23 ' C ' ' A' ' 80' ' ' ASN . 92.3 t -52.91 116.14 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 116.91 -39.46 2.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -91.42 170.03 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 100.0 t -71.23 -44.5 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.94 -157.87 41.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -81.1 169.47 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.6 p -130.43 125.32 34.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -137.92 113.93 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.412 HD11 HG21 ' A' ' 96' ' ' THR . 8.0 tt -116.65 136.28 54.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -125.94 125.12 42.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -98.38 139.27 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -135.08 134.5 40.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 19.8 p -80.31 -37.9 31.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.2 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -95.31 137.55 34.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.073 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 43.3 tp -60.55 -62.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -49.31 -42.56 41.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.48 -44.44 65.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.59 -42.09 74.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HE3' HD11 ' A' ' 118' ' ' LEU . 59.2 mttt -56.31 -46.21 79.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -53.35 -39.48 64.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.21 -50.05 15.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 5.3 t80 -53.12 -47.06 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -71.15 -53.15 15.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -43.15 -56.52 3.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.47 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -51.42 -45.88 62.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -62.84 -62.22 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 134' ' ' LYS . 13.9 ttt-85 -54.74 -29.93 55.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.16 -24.48 57.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.437 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 55.9 mmtt -99.84 -19.66 16.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 64.6 p -117.7 6.45 12.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 130' ' ' ARG . 23.8 mtpp 38.73 36.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -143.74 164.07 31.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -86.67 141.61 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -66.11 -36.4 83.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.17 -39.17 68.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.633 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 12.7 mt-10 -92.33 36.49 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -62.0 -17.5 57.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -56.8 -47.01 81.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.633 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -95.84 36.56 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 152' ' ' LEU . 51.3 t80 -53.42 115.86 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 142' ' ' HIS . 84.9 t -106.39 114.37 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.9 t -81.48 144.34 31.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -125.75 149.48 65.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 113.24 3.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 112.5 -38.75 3.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -77.82 178.3 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.437 ' CD2' ' HD2' ' A' ' 132' ' ' LYS . 16.1 m-85 -78.29 151.83 32.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 9.9 p -107.29 166.38 10.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 143' ' ' PHE . 35.3 tp -109.93 108.17 18.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.531 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -113.74 169.81 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.792 ' O ' HG12 ' A' ' 155' ' ' VAL . 14.0 pt-20 -118.83 12.14 12.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.792 HG12 ' O ' ' A' ' 154' ' ' GLU . 8.1 p 50.36 172.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.682 ' H ' HG22 ' A' ' 155' ' ' VAL . 11.1 pt20 -134.34 118.49 17.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.7 p -170.2 128.7 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.846 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.6 t 176.95 132.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.61 159.42 9.63 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -173.44 143.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.38 . . . . 0.0 110.848 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.3 p -158.3 119.38 3.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.8 -151.14 12.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.37 137.82 35.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.328 . . . . 0.0 111.063 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -40.62 137.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -114.59 140.23 48.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -103.82 143.9 32.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.7 mm -129.26 143.97 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.516 HG21 HG11 ' A' ' 62' ' ' VAL . 11.2 mm -122.22 157.96 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 47' ' ' ARG . 3.0 mmm180 -136.53 129.2 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' ASP . 87.2 t -55.65 115.89 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 3.3 t70 -36.87 142.09 0.37 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.3 Cg_endo -69.77 -42.95 2.95 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 p -53.65 -28.45 33.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -73.75 135.51 77.82 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -51.39 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.705 ' HB3' HG21 ' A' ' 60' ' ' THR . 45.8 mt -41.79 -36.08 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.8 t -40.56 -45.05 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.8 m -59.65 -48.71 80.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -54.12 129.67 58.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 133.04 24.69 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.652 2.235 . . . . 0.0 112.406 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.24 -36.6 4.29 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.705 HG21 ' HB3' ' A' ' 54' ' ' LEU . 37.9 m -65.73 111.6 3.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.71 0.291 . . . . 0.0 111.114 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -131.08 161.01 33.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.516 HG11 HG21 ' A' ' 46' ' ' ILE . 59.2 t -71.65 111.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 55.6 t80 -51.73 130.37 28.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.575 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 10.3 mt-10 37.69 -143.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -107.23 42.19 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -84.65 71.11 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 11.2 p-10 -147.43 102.97 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.2 p -125.02 137.47 54.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.4 m -98.99 130.76 45.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.4 mt -117.03 141.84 47.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -119.59 159.15 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 5.2 tp60 -155.01 105.02 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.0 p -111.41 157.51 20.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -148.91 147.0 28.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.686 HG23 ' O ' ' A' ' 75' ' ' ILE . 3.0 tp -75.6 51.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -136.09 109.71 8.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.2 m120 42.56 40.51 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 47.75 54.99 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -83.04 114.45 21.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -125.56 127.01 45.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -123.45 176.44 6.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -151.11 132.12 14.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -118.25 120.01 36.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.951 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.8 mt -111.79 135.35 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.575 HG22 ' CD2' ' A' ' 125' ' ' PHE . 74.9 mt -138.53 106.27 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -121.11 146.99 46.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 tt -103.76 111.97 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.7 mt -97.92 152.73 18.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.439 ' HG3' ' CE2' ' A' ' 95' ' ' PHE . 24.9 tt0 -131.07 115.61 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.47 169.38 17.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.4 m -76.15 -19.45 58.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.547 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 17.9 m-20 -91.63 45.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.435 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 15.4 mtp180 39.54 43.14 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 20.4 m-85 -134.72 119.0 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.796 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 39.8 m-85 -91.59 166.2 12.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 113' ' ' ASN . 9.2 m -145.9 122.0 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 49.4 m -85.44 103.1 14.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -86.43 115.66 24.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -123.31 121.26 35.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -131.6 117.85 19.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 28.7 p90 -127.27 165.11 20.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 152.86 -157.45 27.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -83.57 136.23 34.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.375 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.2 t -53.42 126.1 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 104.37 -40.39 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.34 138.43 34.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.847 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.4 t -40.09 -39.81 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.27 -151.56 45.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -82.68 154.9 24.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.935 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 65.0 p -122.94 126.22 46.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -139.58 118.07 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.6 tt -121.34 140.84 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 96' ' ' THR . 4.3 m120 -128.53 139.81 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -114.31 129.29 56.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -124.38 135.51 53.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.9 p -75.61 -42.93 50.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -92.01 148.92 21.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.796 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 36.0 tp -72.91 -54.15 9.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -50.55 -44.06 56.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -56.4 -44.14 79.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.64 92.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.626 ' HE3' HD11 ' A' ' 118' ' ' LEU . 63.4 mttt -60.76 -45.42 94.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -57.52 -42.8 83.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.84 -55.78 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.575 ' CD2' HG22 ' A' ' 85' ' ' ILE . 1.6 t80 -51.99 -47.42 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.24 -57.8 4.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.4 OUTLIER -40.34 -54.16 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.455 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 15.2 tppt? -52.28 -52.49 52.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 130' ' ' ARG . 2.9 t80 -59.32 -59.36 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 134' ' ' LYS . 38.9 ttp85 -51.28 -32.08 23.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -77.67 -30.08 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -86.78 -21.64 26.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.441 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 32.6 p -116.59 -2.23 12.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 130' ' ' ARG . 34.6 mtpt 49.0 40.39 16.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -152.2 145.18 24.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -69.95 139.73 52.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -63.33 -36.85 85.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.29 -39.98 74.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.617 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 12.3 mt-10 -91.38 37.67 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -61.5 -19.87 62.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -53.99 -45.25 71.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.617 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -99.29 40.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.441 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 60.5 t80 -55.76 109.59 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 70.7 t -97.94 104.38 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.1 p -75.84 99.82 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -75.45 146.45 80.95 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.604 0.716 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 120.28 7.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.385 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 108.7 -41.41 2.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -74.03 -177.38 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.321 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 21.8 m-85 -72.62 175.73 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.3 p -130.15 163.82 25.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 51.3 tp -104.35 111.44 24.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.57 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -118.86 172.22 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.8 ' O ' HG12 ' A' ' 155' ' ' VAL . 14.8 pt-20 -120.75 17.05 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.8 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.5 p 50.37 172.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.686 ' H ' HG22 ' A' ' 155' ' ' VAL . 46.7 mm-40 -150.22 115.19 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.5 p -102.95 -49.2 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.0 m 49.65 93.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.54 170.67 54.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m 47.31 83.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.7 p -127.9 115.12 18.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.02 -62.14 6.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.467 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.63 133.65 12.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -47.01 110.77 0.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -45.62 162.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.22 125.99 44.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.2 mm -104.84 146.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.573 HG21 HG11 ' A' ' 62' ' ' VAL . 47.5 mm -121.56 136.83 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -112.93 130.42 56.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 58.7 t -62.24 111.92 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -35.89 141.62 0.32 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.1 Cg_endo -69.69 -43.24 2.84 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.737 2.291 . . . . 0.0 112.368 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.403 HG21 ' CZ ' ' A' ' 100' ' ' ARG . 29.5 p -54.53 -28.45 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.1 t -74.96 132.52 77.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -52.27 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.382 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.643 ' HB3' HG21 ' A' ' 60' ' ' THR . 88.5 mt -38.37 -33.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -43.67 -46.84 7.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -54.84 -47.97 73.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -57.34 126.57 74.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 135.94 31.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.83 -33.87 6.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.643 HG21 ' HB3' ' A' ' 54' ' ' LEU . 97.9 m -61.54 104.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 0.0 111.128 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -115.49 169.56 9.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.573 HG11 HG21 ' A' ' 46' ' ' ILE . 73.2 t -87.96 103.33 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 82.6 t80 -40.42 118.12 0.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 7.3 mt-10 50.52 -145.38 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -108.81 40.68 1.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -81.94 78.22 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.451 ' CG ' HD12 ' A' ' 46' ' ' ILE . 11.2 p-10 -153.8 97.17 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.1 p -124.88 136.81 54.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.3 m -95.26 136.45 35.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.7 mt -120.13 139.16 53.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -116.08 154.38 30.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -151.34 106.54 3.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.53 HG22 ' OD1' ' A' ' 80' ' ' ASN . 10.4 p -109.96 156.85 19.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.163 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -147.8 147.08 29.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.59 HG23 ' O ' ' A' ' 75' ' ' ILE . 9.0 tt -75.48 51.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -134.23 108.28 8.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 42.09 40.88 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 m120 46.11 53.64 9.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -90.8 117.32 29.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.53 ' OD1' HG22 ' A' ' 73' ' ' THR . 57.1 m-20 -123.69 135.99 54.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -122.95 174.28 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.466 ' HB3' HG22 ' A' ' 104' ' ' VAL . 7.9 p90 -148.62 129.9 14.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.536 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 2.9 t80 -116.21 124.74 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.2 mt -117.34 137.87 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.142 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.475 HG22 ' CD2' ' A' ' 125' ' ' PHE . 63.5 mt -139.2 108.93 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -124.49 153.95 41.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 63' ' ' TYR . 2.4 tt -112.77 116.06 29.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.45 ' CD2' HG22 ' A' ' 62' ' ' VAL . 35.5 mt -104.16 152.01 22.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 95' ' ' PHE . 28.5 tt0 -129.21 117.44 20.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -84.24 167.85 16.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 t -79.46 -2.42 41.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.57 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 35.9 m-20 -99.83 39.21 1.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.407 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 16.6 mtm180 45.57 32.75 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 15.5 m-85 -134.11 135.88 43.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 1.002 ' CE2' HD13 ' A' ' 118' ' ' LEU . 4.2 m-85 -105.35 167.46 9.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.546 HG21 HD11 ' A' ' 112' ' ' ILE . 23.2 m -144.58 120.88 10.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.161 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.38 106.75 16.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -86.33 125.27 33.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -125.11 126.53 45.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.403 ' CZ ' HG21 ' A' ' 51' ' ' THR . 55.2 ttt180 -131.0 120.67 23.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -140.92 169.37 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 143.74 -132.1 4.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -101.28 128.37 47.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.466 HG22 ' HB3' ' A' ' 82' ' ' PHE . 81.9 t -48.17 133.25 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 100.3 -42.3 1.99 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -96.3 175.49 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.38 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 85.5 t -74.71 -45.46 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.57 -140.48 22.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -83.8 170.09 14.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 61.0 p -134.64 122.94 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -139.19 118.35 12.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.546 HD11 HG21 ' A' ' 96' ' ' THR . 13.8 tt -124.03 138.18 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -131.07 122.26 26.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -95.59 142.56 27.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.404 ' CD1' ' OD1' ' A' ' 120' ' ' ASP . 96.2 m-85 -134.23 130.19 36.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 82.2 p -67.02 -44.53 80.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -91.39 154.94 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.002 HD13 ' CE2' ' A' ' 95' ' ' PHE . 27.7 tp -78.33 -54.55 6.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -49.16 -49.22 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.404 ' OD1' ' CD1' ' A' ' 115' ' ' PHE . 7.6 t70 -48.84 -43.47 38.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.41 -45.8 75.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -53.36 -42.87 67.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -60.15 -42.89 95.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.81 -45.79 81.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.475 ' CD2' HG22 ' A' ' 85' ' ' ILE . 5.0 t80 -58.35 -56.05 27.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -63.44 -51.18 66.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER -45.33 -56.79 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 16.0 tppt? -55.94 -57.82 10.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -46.3 -59.56 2.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 134' ' ' LYS . 31.7 ttt180 -59.68 -32.01 70.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -71.93 -23.34 61.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -97.66 -27.63 14.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 66.4 p -111.58 7.23 20.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 130' ' ' ARG . 18.2 mtpp 40.05 35.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 3.5 m-80 -142.1 167.32 22.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -91.54 144.2 25.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -71.16 -36.32 71.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.21 -32.75 74.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.453 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 38.0 mt-10 -87.41 26.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 21.2 ptt-85 -50.11 -23.62 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -56.84 -49.75 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.453 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.7 p-80 -111.81 44.49 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.468 ' CE1' ' HB3' ' A' ' 152' ' ' LEU . 31.5 t80 -54.59 105.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 87.9 t -75.24 132.2 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 80.2 p -107.55 105.27 15.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -82.36 147.85 57.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.807 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 113.8 3.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.367 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 108.65 -39.23 2.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -72.02 174.21 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.338 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.536 ' CE1' ' HB2' ' A' ' 83' ' ' TYR . 21.8 m-85 -68.2 141.26 56.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.1 p -101.6 166.25 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 143' ' ' PHE . 42.5 tp -108.71 108.17 18.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.544 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.13 173.61 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.558 ' O ' HG12 ' A' ' 155' ' ' VAL . 14.4 pt-20 -126.55 17.96 7.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.74 HG22 ' H ' ' A' ' 156' ' ' GLN . 1.1 p 44.54 -175.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.74 ' H ' HG22 ' A' ' 155' ' ' VAL . 65.5 mt-30 -124.79 105.15 9.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.909 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' SER . 26.3 m -115.57 -57.71 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' SER . 37.5 p 36.93 84.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.49 45.8 3.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.535 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 t -179.36 42.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.835 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.6 p -81.58 143.4 32.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.02 -70.6 0.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.14 84.01 5.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.733 0.301 . . . . 0.0 111.126 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -118.63 156.06 29.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' N ' ' HD2' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -100.0 109.49 21.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.63 135.46 18.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 mm -114.04 145.27 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.591 HG21 HG11 ' A' ' 62' ' ' VAL . 10.9 mm -121.64 155.68 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.43 ' N ' HG22 ' A' ' 46' ' ' ILE . 17.1 mmm180 -138.57 120.58 15.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 62' ' ' VAL . 63.6 t -47.66 118.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.445 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -46.87 143.07 4.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.844 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.6 Cg_endo -69.73 -35.94 11.81 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.463 HG21 ' NE ' ' A' ' 100' ' ' ARG . 18.9 p -55.39 -40.63 71.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 14.1 t -63.73 138.54 97.41 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.24 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.724 2.282 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.526 ' HB3' HG21 ' A' ' 60' ' ' THR . 83.9 mt -45.25 -36.34 3.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.22 -49.15 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 m -56.83 -42.66 80.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -60.41 125.17 81.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.58 0.705 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 135.61 30.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.11 -37.15 3.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.526 HG21 ' HB3' ' A' ' 54' ' ' LEU . 99.1 m -59.57 116.04 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.747 0.308 . . . . 0.0 111.157 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -122.96 166.69 14.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.591 HG11 HG21 ' A' ' 46' ' ' ILE . 90.8 t -85.99 102.41 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.578 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 65.0 t80 -40.15 125.69 2.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.578 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 5.9 mt-10 41.22 -143.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.28 46.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.445 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 42.9 m-85 -89.17 80.8 6.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -163.13 108.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.9 p -132.8 142.85 49.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.8 m -99.3 134.27 42.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -118.46 145.8 44.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -128.01 149.18 50.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -151.28 128.66 11.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.404 HG22 ' CG ' ' A' ' 80' ' ' ASN . 14.3 p -129.12 158.67 38.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -146.55 150.23 35.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 75' ' ' ILE . 6.7 tt -75.43 50.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -133.95 107.8 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 42.05 40.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.8 m120 45.61 55.0 7.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -87.83 115.48 25.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.407 ' C ' HG23 ' A' ' 104' ' ' VAL . 8.4 m-20 -127.77 132.17 49.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -125.28 178.9 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -147.64 137.13 22.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.425 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 0.6 OUTLIER -119.35 122.39 41.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.5 mt -117.58 136.69 53.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.497 HG22 ' CD2' ' A' ' 125' ' ' PHE . 81.1 mt -138.79 109.57 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -124.86 145.08 49.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 tt -108.19 113.9 27.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.1 mt -101.26 167.85 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -150.58 119.41 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.445 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 24.4 p30 -90.36 168.17 12.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.0 m -69.93 -5.35 25.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.491 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 21.7 m-20 -94.33 37.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 39.1 37.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 21.9 m-85 -131.8 123.23 27.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.987 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 28.6 m-85 -94.07 155.44 17.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.73 HG21 HD11 ' A' ' 112' ' ' ILE . 25.9 m -132.3 137.13 47.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.14 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.1 m -100.03 102.5 13.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -86.46 115.02 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -122.13 116.76 24.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.463 ' NE ' HG21 ' A' ' 51' ' ' THR . 43.9 ttp85 -128.45 118.83 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -129.27 164.32 23.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.68 -168.38 33.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -70.43 137.07 50.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.407 HG23 ' C ' ' A' ' 80' ' ' ASN . 87.9 t -54.68 120.31 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.29 -40.2 2.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -90.34 174.87 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.9 t -74.55 -45.89 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.21 -170.01 53.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -67.32 166.77 13.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.1 p -131.39 120.58 23.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -134.87 124.14 24.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.73 HD11 HG21 ' A' ' 96' ' ' THR . 13.2 tt -125.73 145.33 33.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.665 ' O ' HG23 ' A' ' 96' ' ' THR . 4.6 m-80 -127.63 149.39 50.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -123.77 123.57 40.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -120.17 134.22 55.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 78.0 p -78.21 -25.71 47.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -106.54 139.94 40.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.987 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 23.8 tp -63.95 -49.79 71.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -49.5 -56.86 8.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -41.54 -44.61 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.95 -46.88 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -50.71 -47.73 59.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 124' ' ' ASP . 18.3 mttt -62.5 -69.42 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 123' ' ' LYS . 9.9 t0 -35.42 -48.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.497 ' CD2' HG22 ' A' ' 85' ' ' ILE . 3.3 t80 -60.21 -57.55 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -62.48 -62.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER -39.6 -53.17 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.468 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.9 tppt? -55.83 -49.85 72.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -58.51 -58.59 7.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 134' ' ' LYS . 8.1 ttt85 -54.75 -31.91 59.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.05 -27.99 64.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.575 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 67.9 mmtt -94.77 -23.65 17.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 134' ' ' LYS . 66.9 p -115.49 11.55 15.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 130' ' ' ARG . 9.9 mtpm? 34.2 40.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -146.48 152.96 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -81.52 135.48 35.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -58.97 -40.21 84.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.13 90.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.632 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 12.6 mt-10 -91.86 39.55 1.02 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -62.3 -21.71 65.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -52.12 -45.46 64.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.632 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.1 OUTLIER -99.59 41.08 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 72.4 t80 -56.78 103.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 142' ' ' HIS . 80.0 t -93.29 105.02 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.5 t -79.19 152.88 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -126.15 152.27 73.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.557 0.694 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.62 4.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.656 2.237 . . . . 0.0 112.324 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 100.69 -32.8 6.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -71.93 -175.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.575 ' CE2' ' HD2' ' A' ' 132' ' ' LYS . 29.3 m-85 -81.99 130.92 35.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.3 p -96.71 166.49 11.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 52.5 tp -107.7 111.92 24.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.547 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -117.31 171.74 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.797 ' O ' HG12 ' A' ' 155' ' ' VAL . 9.6 pt-20 -121.13 16.64 11.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.797 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.5 p 50.41 172.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.683 ' H ' HG22 ' A' ' 155' ' ' VAL . 9.1 pt20 -124.23 95.64 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.0 p -72.75 130.89 41.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.833 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.2 p -112.39 146.34 38.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.27 -88.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 p 61.13 120.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 m -159.57 42.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.11 -146.32 14.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.89 163.12 14.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.732 0.301 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.39 149.87 42.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.96 149.92 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -43.48 138.85 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.7 mm -109.44 143.37 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.601 HG21 HG11 ' A' ' 62' ' ' VAL . 41.4 mm -115.49 138.29 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -112.32 130.48 55.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.556 HG22 HG23 ' A' ' 62' ' ' VAL . 65.5 t -59.88 114.59 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.446 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 2.3 t70 -37.32 142.28 0.4 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.655 0.741 . . . . 0.0 110.85 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.446 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.75 -51.31 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.748 2.299 . . . . 0.0 112.323 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.401 HG21 HG13 ' A' ' 107' ' ' VAL . 2.6 p -52.33 -31.34 32.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.0 t -58.25 133.87 84.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -32.21 18.9 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.68 ' HB3' HG21 ' A' ' 60' ' ' THR . 9.8 mt -85.19 24.06 1.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.974 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.486 ' HA ' HG11 ' A' ' 48' ' ' VAL . 50.4 p -85.09 -53.6 5.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 t -64.92 -38.61 91.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -53.45 122.93 34.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 130.62 19.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.284 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.54 -32.32 6.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.68 HG21 ' HB3' ' A' ' 54' ' ' LEU . 45.7 m -71.9 100.3 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 0.0 111.13 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -112.16 162.69 15.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.601 HG11 HG21 ' A' ' 46' ' ' ILE . 70.6 t -81.91 102.14 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.506 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 80.8 t80 -38.69 116.24 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.506 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 5.6 mt-10 47.42 -147.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -106.8 37.08 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.45 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 27.0 m-85 -81.58 73.85 8.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.567 HD22 HG23 ' A' ' 46' ' ' ILE . 5.8 t30 -154.0 109.57 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.9 p -132.94 139.29 47.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.2 m -95.09 134.23 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.3 mt -118.91 144.58 46.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -129.01 152.05 49.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.458 ' OE1' ' CE2' ' A' ' 150' ' ' TYR . 10.4 pt20 -153.0 128.34 9.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 p -130.49 156.34 44.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -144.76 150.96 38.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 75' ' ' ILE . 2.6 tp -75.55 52.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -135.84 109.33 7.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 8.3 m120 42.46 40.62 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 77' ' ' ASN . 0.6 OUTLIER 47.92 55.03 9.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.429 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 3.0 t-20 -81.04 112.9 18.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 79' ' ' ASN . 4.1 m-20 -133.29 125.78 30.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -129.62 177.37 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -144.62 139.4 28.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.506 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 1.3 t80 -119.53 135.03 54.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.0 mt -126.71 133.65 68.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.9 mt -136.64 110.97 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -127.85 146.22 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.498 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.4 tt -106.89 107.95 19.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.0 mt -92.81 161.98 14.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.513 ' HG2' ' CE2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -137.31 116.07 12.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -80.74 169.49 17.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 m -73.46 -15.36 61.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.511 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 11.1 m-20 -95.97 44.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 38.86 42.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 21.1 m-85 -131.47 122.77 26.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.926 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 14.8 m-85 -92.3 161.64 14.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.579 HG21 HD11 ' A' ' 112' ' ' ILE . 84.9 m -144.06 121.94 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.139 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.4 m -84.74 102.67 13.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -87.04 105.92 17.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -105.86 133.26 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -138.05 115.76 11.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.465 ' NE1' ' HB2' ' A' ' 109' ' ' GLN . 15.2 p90 -129.51 169.24 15.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.56 -126.81 2.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -116.4 152.34 34.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.2 t -67.0 115.31 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.96 25.51 7.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -153.9 170.76 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.401 HG13 HG21 ' A' ' 51' ' ' THR . 94.6 t -73.21 -40.89 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.44 -171.61 43.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.465 ' HB2' ' NE1' ' A' ' 101' ' ' TRP . 42.1 mm-40 -61.89 176.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 72.3 p -142.71 127.14 17.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -144.18 120.75 11.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.579 HD11 HG21 ' A' ' 96' ' ' THR . 6.4 tt -123.74 136.42 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -124.3 130.33 52.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -104.6 118.41 36.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -112.04 125.38 54.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.8 p -64.64 -44.57 90.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.162 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.9 mmt-85 -88.27 158.59 18.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.926 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 21.5 tp -81.66 -52.42 7.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -51.99 -51.06 59.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -46.89 -43.57 18.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.77 -45.36 78.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -56.87 -46.79 81.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -53.19 -43.12 66.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.83 -49.18 49.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.45 ' CE2' ' HB3' ' A' ' 66' ' ' TYR . 5.7 t80 -53.46 -42.22 66.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -80.6 -32.48 36.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.474 ' HB3' ' HZ2' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -61.43 -53.0 62.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -60.96 -48.74 80.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -59.13 -52.05 67.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 134' ' ' LYS . 15.1 ttt-85 -65.32 -33.12 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -71.12 -25.75 62.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.583 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 29.6 mmtm -97.07 -25.08 15.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.512 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 69.6 p -110.99 6.73 21.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' ARG . 20.3 mtpp 39.02 36.99 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -143.65 161.12 39.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -91.11 129.95 37.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.5 t-105 -48.86 -38.4 22.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.73 79.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.63 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 15.4 mt-10 -92.0 38.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 -64.43 -18.78 65.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -55.81 -47.16 77.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.63 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -95.81 38.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 30.7 t80 -57.55 111.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 65.5 t -92.89 117.52 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.185 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.6 p -86.32 99.82 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -79.09 149.3 73.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.81 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 108.53 2.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 109.29 -36.02 4.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -66.22 -176.09 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.775 0.321 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.583 ' CE2' ' HD2' ' A' ' 132' ' ' LYS . 13.7 m-85 -82.38 133.11 35.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 23.8 p -95.26 166.33 11.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 0.9 OUTLIER -110.76 114.37 27.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.534 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -109.65 179.71 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.811 ' O ' HG12 ' A' ' 155' ' ' VAL . 14.5 pt-20 -128.25 10.99 6.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.7 p 50.68 172.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.697 ' H ' HG22 ' A' ' 155' ' ' VAL . 13.2 pt20 -111.12 110.48 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.8 m -112.58 -52.01 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -134.7 156.93 47.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -95.12 -114.53 2.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.0 m -137.25 114.04 10.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.845 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 t -175.44 116.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -143.7 76.5 0.29 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.86 135.63 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -95.71 141.73 28.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -111.83 123.67 50.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -75.97 113.0 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.835 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.7 mm -121.51 144.33 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.826 HG21 HG11 ' A' ' 62' ' ' VAL . 39.4 mm -117.48 134.78 59.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -121.04 130.0 53.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.7 t -56.04 115.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.1 t70 -38.15 142.11 0.48 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.658 0.742 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.72 -43.46 2.68 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.3 p -51.74 -35.2 42.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.0 t -67.05 138.84 95.1 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -51.41 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.921 ' HB3' HG21 ' A' ' 60' ' ' THR . 95.1 mt -43.69 -35.64 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -40.51 -50.59 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.2 t -61.14 -46.96 88.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -53.03 128.7 47.96 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 132.66 23.87 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.24 -29.31 11.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.921 HG21 ' HB3' ' A' ' 54' ' ' LEU . 97.9 m -68.16 109.31 3.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 111.127 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -122.16 170.48 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.826 HG11 HG21 ' A' ' 46' ' ' ILE . 91.6 t -87.15 123.83 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 66.1 t80 -64.66 124.09 21.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.577 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 7.1 mt-10 44.17 -143.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -107.86 34.62 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -82.93 81.67 8.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.683 HD22 HG23 ' A' ' 46' ' ' ILE . 8.3 t30 -160.36 107.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.5 m -139.98 161.03 38.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.4 m -115.15 146.63 41.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 54.1 mt -123.15 135.56 54.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -118.91 151.25 38.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.431 ' HB3' ' CD2' ' A' ' 150' ' ' TYR . 1.6 pp0? -154.99 131.85 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.471 HG22 ' OD1' ' A' ' 80' ' ' ASN . 10.8 p -136.88 158.35 44.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -148.31 150.88 34.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.752 HG23 ' O ' ' A' ' 75' ' ' ILE . 9.9 tp -75.64 51.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -136.26 109.84 8.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 42.18 40.55 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.5 m120 44.59 54.94 6.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -86.84 115.09 24.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.471 ' OD1' HG22 ' A' ' 73' ' ' THR . 8.9 m-20 -129.63 133.83 47.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.433 ' N ' HG23 ' A' ' 104' ' ' VAL . 8.2 mtpm? -131.7 178.01 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -153.52 137.27 16.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -117.4 134.47 54.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.9 mt -124.55 132.73 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.456 HG22 ' CD2' ' A' ' 125' ' ' PHE . 84.8 mt -136.74 106.71 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -122.75 143.15 50.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.453 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.3 tt -102.37 111.09 23.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.8 mt -101.84 160.33 14.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.451 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 31.8 tp60 -135.83 116.9 14.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 94' ' ' PHE . 16.7 p30 -85.94 167.77 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.8 p -72.8 1.02 9.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.577 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 8.0 m-80 -99.0 34.35 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 44.69 26.56 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 15.7 m-85 -128.12 129.52 46.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.719 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 46.9 m-85 -91.5 160.87 15.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.455 HG21 HD11 ' A' ' 112' ' ' ILE . 23.2 m -138.34 122.77 18.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.157 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.0 m -85.72 104.13 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -86.79 111.1 20.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -112.04 129.01 56.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.2 ttp85 -135.47 118.34 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.2 p90 -129.55 164.05 24.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.86 -162.21 30.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -76.74 135.96 39.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 81' ' ' LYS . 97.5 t -54.53 120.91 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.88 -40.17 2.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -92.5 175.26 6.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.1 t -74.34 -46.29 44.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.67 -160.73 45.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.479 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -72.5 176.14 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 78.8 p -138.86 125.11 20.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -135.79 129.85 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.455 HD11 HG21 ' A' ' 96' ' ' THR . 11.3 tt -133.76 134.42 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -126.07 127.06 45.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -102.23 116.63 33.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -111.11 126.69 55.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.4 p -65.83 -43.85 87.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -89.59 152.84 21.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.719 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 31.5 tp -74.23 -53.39 9.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -50.57 -50.85 52.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.88 -49.44 10.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.26 85.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -55.1 -48.26 73.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -51.09 -42.89 60.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.11 -43.72 73.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.456 ' CD2' HG22 ' A' ' 85' ' ' ILE . 8.1 t80 -60.06 -45.97 91.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -74.25 -46.81 39.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -56.04 -54.95 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 15.8 tppt? -59.93 -54.22 48.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 130' ' ' ARG . 3.6 t80 -50.37 -60.66 2.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 134' ' ' LYS . 9.0 ttt-85 -59.82 -28.79 67.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.81 -22.15 61.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -101.2 -26.79 13.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.436 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 66.2 p -112.35 8.32 19.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 130' ' ' ARG . 22.3 mtpp 41.05 26.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 133' ' ' THR . 31.1 m-80 -132.0 146.13 51.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -77.31 133.47 38.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -56.16 -37.82 70.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.46 -42.03 65.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 12.8 mt-10 -90.37 35.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -59.85 -20.42 56.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -53.49 -47.74 69.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -95.95 35.26 1.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 25.7 t80 -57.97 108.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 5.8 p -90.77 126.37 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 95.4 p -95.62 100.99 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -83.38 149.62 58.49 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.528 0.68 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 120.64 7.4 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 101.19 -34.9 5.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.62 178.68 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.31 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 72' ' ' GLN . 38.9 m-85 -80.23 144.67 32.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 22.9 p -106.12 164.55 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.3 tt -107.79 116.33 31.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.569 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.17 174.11 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.839 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.801 ' O ' HG12 ' A' ' 155' ' ' VAL . 9.2 pt-20 -125.77 15.51 8.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.801 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.2 p 50.25 172.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.688 ' H ' HG22 ' A' ' 155' ' ' VAL . 0.8 OUTLIER -136.84 130.84 32.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.2 t -83.45 122.04 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.844 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.7 p -41.12 121.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.808 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 159.47 71.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.0 m -161.97 104.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -153.2 103.05 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.32 168.38 25.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -158.01 163.52 37.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -108.81 44.71 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -49.61 140.84 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.511 ' O ' HD13 ' A' ' 45' ' ' ILE . 9.3 ttm-85 -61.49 161.64 9.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.511 HD13 ' O ' ' A' ' 44' ' ' ARG . 28.0 mm -139.53 143.48 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.481 HG21 HG11 ' A' ' 62' ' ' VAL . 19.6 mm -122.61 133.23 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.27 129.59 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.5 t -64.16 119.52 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -38.59 142.08 0.53 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.5 Cg_endo -69.81 -48.21 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.3 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.428 HG21 ' CZ ' ' A' ' 100' ' ' ARG . 32.6 p -49.15 -32.57 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.0 t -70.08 138.48 87.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.64 0.734 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -50.98 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.924 ' HB3' HG21 ' A' ' 60' ' ' THR . 93.4 mt -43.66 -35.47 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -41.16 -49.87 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 m -61.56 -46.42 89.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -54.97 128.18 64.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 139.54 40.67 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.42 -37.41 3.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.924 HG21 ' HB3' ' A' ' 54' ' ' LEU . 96.0 m -59.12 106.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 111.163 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -120.8 161.94 20.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.481 HG11 HG21 ' A' ' 46' ' ' ILE . 92.8 t -80.52 119.8 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.577 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 78.2 t80 -57.81 122.29 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.577 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.3 mt-10 47.53 -145.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.482 ' CG ' ' O ' ' A' ' 65' ' ' ASP . 20.2 t70 -104.32 39.73 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -81.45 69.67 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 13.9 p-10 -144.99 94.76 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.7 p -125.84 142.78 51.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.8 m -106.21 134.56 49.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -120.44 146.27 46.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -123.37 157.46 33.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.451 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 5.2 tp-100 -153.08 106.97 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.2 p -111.66 158.31 19.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -150.82 145.66 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 75' ' ' ILE . 7.5 tt -75.53 51.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -134.41 109.3 8.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m120 42.64 41.1 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 48.59 54.97 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -83.93 112.1 19.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.591 ' C ' HG23 ' A' ' 104' ' ' VAL . 1.6 m120 -128.51 122.07 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -119.3 178.86 4.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -149.87 129.05 12.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -112.89 135.87 53.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 78.0 mt -130.45 133.35 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.637 HG22 ' CE2' ' A' ' 125' ' ' PHE . 56.0 mt -134.09 105.31 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -120.65 146.65 46.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 tt -107.64 107.93 18.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.3 mt -95.0 167.17 11.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -149.42 124.95 10.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -92.4 169.35 10.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.3 t -59.4 -31.46 69.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.591 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 35.2 m-20 -82.42 46.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 33.16 34.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.4 m-85 -114.62 118.41 33.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.884 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 12.8 m-85 -92.89 167.59 11.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 113' ' ' ASN . 59.7 m -148.91 123.91 10.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.8 m -82.32 104.47 12.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -90.37 103.74 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -113.26 123.15 49.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.428 ' CZ ' HG21 ' A' ' 51' ' ' THR . 57.6 ttp85 -133.54 133.67 42.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -143.34 174.2 10.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.11 -160.52 27.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -75.95 131.63 39.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.591 HG23 ' C ' ' A' ' 80' ' ' ASN . 92.6 t -50.8 126.72 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 105.79 -39.8 2.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -93.1 170.72 9.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 79.5 t -69.61 -45.97 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.19 -166.32 54.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -71.63 145.06 49.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 54.1 p -115.54 129.63 56.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -133.91 114.66 13.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.8 tt -120.71 136.08 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 96' ' ' THR . 6.6 m120 -127.69 132.46 49.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -103.44 116.06 31.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -110.53 118.25 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 35.8 p -61.62 -39.1 90.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -92.74 156.17 17.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.884 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 30.9 tp -78.43 -63.35 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 120' ' ' ASP . 6.9 pt-20 -47.54 -41.87 22.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 119' ' ' GLU . 1.0 OUTLIER -50.66 -45.5 58.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.93 -35.86 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -60.13 -42.39 94.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -61.22 -44.13 97.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -42.47 73.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.637 ' CE2' HG22 ' A' ' 85' ' ' ILE . 3.8 t80 -63.25 -43.89 96.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -73.86 -48.43 31.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -52.85 -56.34 16.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -52.8 -48.39 66.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -59.08 -59.37 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 134' ' ' LYS . 18.3 ttt-85 -58.34 -30.21 66.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -73.01 -26.84 61.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.585 ' HD2' ' CD1' ' A' ' 150' ' ' TYR . 35.8 mmtt -95.07 -24.25 16.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.52 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 62.8 p -114.88 9.57 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' ARG . 18.0 mtpp 36.99 39.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.437 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 3.5 m-80 -144.74 160.07 41.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -89.2 133.94 34.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.7 t-105 -56.21 -39.67 72.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.04 -42.39 76.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.611 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 12.5 mt-10 -91.77 39.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -63.16 -20.74 65.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -53.26 -46.22 69.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.611 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -98.17 39.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 47.0 t80 -56.25 104.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 96.0 t -89.55 102.47 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.9 p -81.71 99.65 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -78.5 151.15 77.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.7 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 119.23 6.21 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.637 2.224 . . . . 0.0 112.35 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 109.24 -39.22 2.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.515 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -73.86 177.77 5.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.355 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.585 ' CD1' ' HD2' ' A' ' 132' ' ' LYS . 19.3 m-85 -70.72 158.11 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 15.4 p -115.98 166.49 11.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.193 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.0 OUTLIER -109.94 110.45 21.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.537 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.49 169.57 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.822 ' O ' HG12 ' A' ' 155' ' ' VAL . 13.3 pt-20 -117.85 13.82 14.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.822 HG12 ' O ' ' A' ' 154' ' ' GLU . 5.9 p 51.1 172.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.694 ' H ' HG22 ' A' ' 155' ' ' VAL . 9.6 pt20 -93.66 94.5 8.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.7 m -149.04 85.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.4 m -129.28 162.33 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.8 175.62 54.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 p -177.08 129.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -54.1 148.86 10.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.9 98.23 0.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 64.84 142.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.723 0.296 . . . . 0.0 111.12 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 43' ' ' LYS . 11.2 tt0 -121.7 114.72 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' GLU . 36.8 mttm -34.68 115.7 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -61.95 125.79 25.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 mm -94.85 146.97 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.741 HG21 HG11 ' A' ' 62' ' ' VAL . 13.4 mm -123.38 133.91 67.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -110.3 121.52 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.7 t -50.1 123.67 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -47.86 141.51 7.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.536 0.684 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.0 Cg_endo -69.77 -41.8 3.95 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.737 2.292 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.475 HG21 ' CZ ' ' A' ' 100' ' ' ARG . 50.0 p -52.93 -34.84 57.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 37.4 t -71.56 137.04 83.29 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' LEU . 53.9 Cg_endo -69.78 -51.2 0.4 Allowed 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.662 2.241 . . . . 0.0 112.332 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.6 ' HB3' HG21 ' A' ' 60' ' ' THR . 97.0 mt -37.02 -38.6 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -41.29 -50.88 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -50.04 -44.8 51.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -62.16 128.54 91.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.98 61.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.36 -42.34 2.72 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.6 HG21 ' HB3' ' A' ' 54' ' ' LEU . 86.1 m -55.99 107.88 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 111.119 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -121.53 165.93 14.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.741 HG11 HG21 ' A' ' 46' ' ' ILE . 99.2 t -78.6 106.63 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 67.2 t80 -46.07 119.25 2.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.567 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 6.2 mt-10 51.06 -142.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -113.98 42.45 2.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 125' ' ' PHE . 42.2 m-85 -87.37 81.9 7.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -162.04 115.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.5 p -144.09 149.02 35.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.3 m -102.27 132.08 48.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.3 mt -114.99 140.0 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -115.5 148.42 39.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.474 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 48.1 tt0 -141.67 107.62 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 p -116.18 155.08 28.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -150.3 144.79 25.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 75' ' ' ILE . 7.3 tp -75.59 51.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -136.56 110.04 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 42.65 40.43 2.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 47.76 54.99 9.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -84.5 112.31 20.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -128.85 141.03 51.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -143.46 170.11 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -139.2 142.22 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -127.88 132.79 49.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.954 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 79.7 mt -124.29 135.79 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.537 HG22 ' CD2' ' A' ' 125' ' ' PHE . 65.2 mt -135.48 110.94 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -128.52 147.72 50.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 63' ' ' TYR . 1.9 tt -109.27 111.13 22.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.458 ' CD2' HG22 ' A' ' 62' ' ' VAL . 25.5 mt -99.9 151.94 20.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.547 ' HB2' ' CE2' ' A' ' 95' ' ' PHE . 20.7 tt0 -125.92 139.62 53.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -109.51 168.55 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.0 p -71.71 -13.86 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.546 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 13.8 t-20 -93.63 39.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 41.5 25.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 17.1 m-85 -119.99 118.67 31.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.621 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 18.9 m-85 -91.96 167.26 12.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.709 HG21 HD11 ' A' ' 112' ' ' ILE . 24.3 m -142.13 124.37 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.2 m -87.75 103.46 15.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -86.06 123.49 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -121.66 133.69 54.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.475 ' CZ ' HG21 ' A' ' 51' ' ' THR . 31.7 ttt180 -135.66 124.33 23.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.495 ' CH2' ' HB2' ' A' ' 111' ' ' LYS . 17.9 p90 -140.59 169.25 18.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 152.9 -127.73 2.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -113.8 148.61 36.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.42 110.48 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.17 25.91 5.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -160.94 164.58 31.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.366 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 108' ' ' GLY . 0.5 OUTLIER -65.05 -40.19 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.458 ' O ' HG13 ' A' ' 107' ' ' VAL . . . 64.56 -155.48 47.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -77.27 174.23 10.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.9 p -147.94 135.33 20.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.495 ' HB2' ' CH2' ' A' ' 101' ' ' TRP . 0.3 OUTLIER -139.53 153.09 47.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.709 HD11 HG21 ' A' ' 96' ' ' THR . 12.6 tt -147.45 146.05 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -135.83 128.97 31.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -102.17 125.09 48.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -123.89 134.85 53.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 67.0 p -75.26 -42.55 54.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -88.6 149.04 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.621 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 24.7 tp -76.01 -50.38 15.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -54.05 -46.59 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -50.76 -47.02 59.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.99 97.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -60.66 -39.03 86.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 26.0 mtpp -59.54 -47.2 86.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.91 -44.7 63.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.537 ' CD2' HG22 ' A' ' 85' ' ' ILE . 1.8 t80 -58.65 -49.3 78.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -72.17 -55.32 7.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -40.88 -53.2 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 11.8 tppt? -53.86 -52.41 60.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -56.94 -53.57 56.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.0 ttp85 -61.17 -27.0 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -81.82 -28.67 33.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.587 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 35.2 mmtm -88.27 -27.49 21.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 43.5 p -109.32 -3.01 17.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt 49.96 41.08 22.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -153.68 141.52 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -66.27 137.48 56.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -60.93 -37.74 83.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.31 -42.46 88.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.628 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 12.4 mt-10 -87.77 36.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.7 ptt85 -59.29 -23.2 62.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -50.47 -48.1 56.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.628 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -97.17 38.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -58.36 104.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 87.0 t -87.92 130.55 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 89.3 p -98.65 100.05 11.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -76.29 149.81 82.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.631 2.22 . . . . 0.0 112.389 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 104.99 -36.74 4.2 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -64.03 -175.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.587 ' CE2' ' HD2' ' A' ' 132' ' ' LYS . 22.3 m-85 -81.35 141.75 33.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 8.9 p -105.6 166.51 10.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 39.7 tp -106.99 106.19 16.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.595 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -115.59 170.14 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.706 ' O ' HG12 ' A' ' 155' ' ' VAL . 9.8 pt-20 -123.21 20.27 9.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.792 HG22 ' H ' ' A' ' 156' ' ' GLN . 3.2 p 47.69 179.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.792 ' H ' HG22 ' A' ' 155' ' ' VAL . 65.8 mt-30 -124.9 97.18 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 179.913 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.1 p -105.1 140.85 37.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.814 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.1 m -121.59 108.86 14.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.39 150.32 5.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.2 p -178.16 121.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.2 t 58.17 157.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.49 -152.47 24.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.28 82.15 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 111.076 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -121.1 114.29 21.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -105.08 146.99 28.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.9 ttt-85 -98.75 145.64 26.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.2 mm -123.42 143.17 37.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.538 HD12 ' ND2' ' A' ' 67' ' ' ASN . 19.3 mm -126.25 141.99 44.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -123.47 112.78 17.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.49 HG22 HG23 ' A' ' 62' ' ' VAL . 98.3 t -42.99 122.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -39.76 143.78 0.55 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.572 0.701 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.74 -41.79 3.99 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.338 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 p -54.87 -36.17 64.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.5 t -63.28 136.74 96.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.625 0.726 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -51.18 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.768 2.312 . . . . 0.0 112.299 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.782 ' HB3' HG21 ' A' ' 60' ' ' THR . 49.1 mt -43.9 -35.94 2.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.1 t -40.99 -48.41 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 t -57.63 -45.91 84.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -58.09 127.76 80.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.58 33.24 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.382 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.04 -32.13 7.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.782 HG21 ' HB3' ' A' ' 54' ' ' LEU . 87.2 m -66.5 106.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.733 0.302 . . . . 0.0 111.138 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -117.52 175.52 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.49 HG23 HG22 ' A' ' 48' ' ' VAL . 93.4 t -93.11 112.81 26.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 69.6 t80 -49.18 123.22 6.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.577 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 8.9 mt-10 46.39 -142.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -109.36 40.19 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -85.86 84.76 7.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.538 ' ND2' HD12 ' A' ' 46' ' ' ILE . 16.1 p-10 -155.7 108.5 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.413 ' SG ' HD11 ' A' ' 152' ' ' LEU . 10.6 m -146.6 161.04 41.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -119.34 152.48 36.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.491 HD12 ' HB3' ' A' ' 83' ' ' TYR . 60.9 mt -122.34 144.92 48.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -132.4 155.29 48.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.4 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 7.9 tm0? -155.38 105.07 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.5 p -101.28 152.0 21.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -147.45 141.33 25.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.635 HG23 ' O ' ' A' ' 75' ' ' ILE . 2.5 tp -76.06 51.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -134.75 108.54 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m120 41.79 41.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 46.2 52.21 10.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -95.77 116.05 28.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.487 ' HB2' ' CG2' ' A' ' 104' ' ' VAL . 0.6 OUTLIER -130.69 141.6 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.415 ' N ' HG23 ' A' ' 104' ' ' VAL . 40.3 mtpt -132.94 169.76 16.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -148.06 171.44 15.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.491 ' HB3' HD12 ' A' ' 70' ' ' LEU . 2.2 t80 -150.48 130.08 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.473 HD12 ' HB3' ' A' ' 100' ' ' ARG . 31.5 mt -111.51 137.75 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.546 HG22 ' CD2' ' A' ' 125' ' ' PHE . 75.3 mt -140.65 108.88 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -129.18 153.47 47.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.561 HD22 ' CB ' ' A' ' 63' ' ' TYR . 1.7 tt -115.09 113.85 24.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.662 HD12 HD12 ' A' ' 54' ' ' LEU . 33.2 mt -100.88 159.55 15.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -138.06 125.71 22.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -92.9 170.55 9.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t -66.76 -30.94 71.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.584 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 6.7 m120 -84.24 47.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 92' ' ' ASN . 1.5 ptm85 36.14 34.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 22.8 m-85 -117.22 116.66 27.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.913 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 21.2 m-85 -92.73 166.63 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.498 HG21 HD11 ' A' ' 112' ' ' ILE . 62.6 m -148.36 123.44 10.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.3 m -82.0 102.13 10.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -88.81 110.17 20.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -113.83 140.67 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.823 ' NH1' HG22 ' A' ' 107' ' ' VAL . 11.5 ttm-85 -148.51 119.94 7.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 31.4 p90 -131.92 179.18 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.23 -148.81 20.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -91.06 138.22 31.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.487 ' CG2' ' HB2' ' A' ' 80' ' ' ASN . 93.1 t -61.31 92.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 142.42 -23.12 2.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -120.3 153.31 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.823 HG22 ' NH1' ' A' ' 100' ' ' ARG . 0.8 OUTLIER -43.16 -44.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.526 ' N ' ' CG1' ' A' ' 107' ' ' VAL . . . 84.34 -155.43 31.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -87.26 170.48 11.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 63.0 p -131.32 139.03 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -153.54 121.58 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.498 HD11 HG21 ' A' ' 96' ' ' THR . 12.2 tt -123.11 138.95 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -129.95 122.28 28.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -93.56 131.63 38.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -124.28 129.2 50.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 24.7 p -75.03 -24.63 58.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -105.67 144.23 32.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.913 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 25.7 tp -74.66 -50.63 16.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -51.33 -57.33 9.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.69 -48.13 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.5 -47.24 86.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -57.22 -46.03 83.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -57.6 -46.94 83.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.53 -55.68 16.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.546 ' CD2' HG22 ' A' ' 85' ' ' ILE . 4.8 t80 -48.43 -43.57 34.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -79.03 -35.01 43.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.1 OUTLIER -60.43 -53.2 60.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.6 tppt? -60.52 -52.28 65.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -57.97 -59.04 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.2 ttp85 -50.99 -27.28 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -87.03 -32.75 19.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -82.47 -15.12 53.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 44.6 p -124.49 -4.17 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 49.66 42.86 23.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -155.74 141.31 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -65.75 135.72 55.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -60.07 -38.47 82.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.21 -39.8 86.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.054 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.639 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 13.5 mt-10 -89.53 36.9 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.571 HH12 HD21 ' A' ' 152' ' ' LEU . 3.2 ptm85 -59.98 -24.58 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -49.67 -48.31 49.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.639 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -97.03 40.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 61.4 t80 -59.65 104.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 79.7 t -95.92 116.96 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 66.9 p -85.61 99.57 11.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -73.62 151.44 89.24 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.54 0.686 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.71 13.59 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 99.37 -38.52 3.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -72.92 -177.86 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.4 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 41.5 m-85 -80.9 163.89 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.0 p -115.24 166.37 11.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.571 HD21 HH12 ' A' ' 140' ' ' ARG . 37.1 tp -107.12 108.24 19.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.617 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -110.88 175.29 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.785 ' O ' HG12 ' A' ' 155' ' ' VAL . 10.4 pt-20 -126.02 14.91 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.785 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.8 p 50.52 172.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.691 ' H ' HG22 ' A' ' 155' ' ' VAL . 18.8 pt20 -128.86 121.15 27.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.3 m -141.58 167.53 21.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.818 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 80.1 p -135.28 170.33 16.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.64 -146.01 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t -86.13 117.89 25.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.369 . . . . 0.0 110.848 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.5 t -152.0 171.05 18.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.27 69.7 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.42 162.22 41.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.691 0.281 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -59.79 108.65 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -116.5 105.98 13.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -62.46 131.76 50.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.0 mm -131.34 140.82 47.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.705 HG21 HG11 ' A' ' 62' ' ' VAL . 42.9 mm -114.94 132.29 64.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -105.27 135.4 46.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' ASP . 49.5 t -65.56 112.4 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' VAL . 3.5 t70 -34.22 141.86 0.23 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.75 -42.41 3.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -52.61 -35.27 54.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.1 t -68.14 138.04 92.05 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -49.3 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.337 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.877 ' HB3' HG21 ' A' ' 60' ' ' THR . 82.1 mt -43.49 -35.9 1.82 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 54' ' ' LEU . 12.9 t -37.28 -57.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.9 m -52.08 -46.5 65.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -58.17 126.66 78.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 143.07 49.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.621 2.214 . . . . 0.0 112.373 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.77 -43.21 1.99 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.877 HG21 ' HB3' ' A' ' 54' ' ' LEU . 87.1 m -59.62 101.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 0.0 111.189 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -116.94 170.03 8.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.705 HG11 HG21 ' A' ' 46' ' ' ILE . 75.6 t -82.37 102.26 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 87.4 t80 -42.91 112.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.564 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 6.1 mt-10 57.28 -145.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.24 40.01 2.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.432 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 28.5 m-85 -81.42 76.21 8.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.938 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 6.5 p-10 -151.42 112.13 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.7 p -137.21 137.9 39.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.1 m -99.05 134.81 41.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -119.71 143.79 47.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -119.85 151.26 39.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.471 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 53.5 tt0 -145.53 108.05 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.538 HG22 ' CG ' ' A' ' 80' ' ' ASN . 10.0 p -110.82 156.92 20.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -148.23 145.94 28.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.684 HG23 ' O ' ' A' ' 75' ' ' ILE . 3.5 tp -75.49 52.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -135.18 109.01 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.6 m120 42.19 40.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 34.2 m120 45.99 55.02 7.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -94.17 118.35 31.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.538 ' CG ' HG22 ' A' ' 73' ' ' THR . 32.1 m-20 -124.57 136.96 54.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -125.85 174.27 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -144.39 164.86 29.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -148.11 127.79 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.7 mt -120.3 135.35 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.187 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.533 HG22 ' CE2' ' A' ' 125' ' ' PHE . 80.3 mt -136.87 105.11 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.109 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -119.24 151.23 38.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 63' ' ' TYR . 1.8 tt -111.58 106.59 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.4 mt -96.02 151.84 19.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.483 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 40.7 tt0 -130.18 130.47 44.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -97.27 170.2 9.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.2 t -68.17 -31.4 70.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.553 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 21.5 m-80 -82.8 47.3 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.8 ptt-85 35.67 38.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 23.5 m-85 -124.55 117.55 24.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.595 ' CE2' HD13 ' A' ' 118' ' ' LEU . 16.7 m-85 -93.05 167.16 11.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.732 HG21 HD11 ' A' ' 112' ' ' ILE . 57.0 m -146.37 119.95 9.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.3 m -83.91 104.19 13.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 50.2 t-105 -89.22 109.44 20.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -106.09 136.73 45.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.1 ttp85 -140.87 124.7 17.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 16.2 p90 -144.92 172.71 12.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.42 -137.05 6.81 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -100.77 131.59 46.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.7 t -48.13 130.81 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 100.74 -44.19 1.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -90.8 176.01 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.7 t -79.21 -41.16 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.71 -149.55 43.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -79.52 162.13 25.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.9 p -134.46 119.45 18.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.58 127.22 38.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.732 HD11 HG21 ' A' ' 96' ' ' THR . 14.3 tt -122.6 144.72 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -131.21 119.5 21.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -94.8 124.47 38.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.57 ' CD1' ' OD1' ' A' ' 120' ' ' ASP . 75.8 m-85 -118.37 146.92 44.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.2 p -87.83 -36.14 17.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -98.42 166.42 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.595 HD13 ' CE2' ' A' ' 95' ' ' PHE . 15.3 tp -87.72 -53.91 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -53.31 -51.32 62.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.57 ' OD1' ' CD1' ' A' ' 115' ' ' PHE . 0.4 OUTLIER -43.76 -48.59 8.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.491 ' N ' ' OD1' ' A' ' 120' ' ' ASP . . . -62.95 -49.55 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -52.89 -43.21 66.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -53.6 -43.46 68.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.93 -44.83 46.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.533 ' CE2' HG22 ' A' ' 85' ' ' ILE . 7.1 t80 -56.08 -42.48 76.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -79.37 -36.51 39.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 1.2 tmmm? -62.52 -55.19 29.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 11.9 tppt? -56.11 -44.46 79.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.86 -51.84 65.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 135' ' ' ASN . 15.1 ttt-85 -65.84 -27.78 68.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -74.81 -28.06 60.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -94.76 -18.84 20.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 134' ' ' LYS . 43.0 p -120.8 10.74 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.182 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 133' ' ' THR . 47.6 mtpt 34.6 37.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' A' ' 130' ' ' ARG . 16.5 m-80 -138.95 164.99 28.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -96.44 132.18 42.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -53.96 -39.08 65.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.87 -43.25 79.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.605 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 12.1 mt-10 -91.97 39.53 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -63.43 -19.87 65.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.73 -50.83 67.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.605 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -92.27 36.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 32.6 t80 -58.16 118.5 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 71.5 t -99.82 130.06 49.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.3 p -98.9 103.45 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -79.15 150.92 75.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 108.78 2.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 107.38 -36.51 4.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.474 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -64.9 -179.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.471 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 20.4 m-85 -80.12 137.23 36.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 19.0 p -99.23 166.52 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.3 tt -109.04 116.53 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.543 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -120.35 172.87 6.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.598 ' O ' HG12 ' A' ' 155' ' ' VAL . 13.3 pt-20 -124.96 22.11 8.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.781 HG22 ' H ' ' A' ' 156' ' ' GLN . 1.4 p 45.21 -176.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.781 ' H ' HG22 ' A' ' 155' ' ' VAL . 0.0 OUTLIER -137.93 114.78 10.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 156' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.3 p -167.04 101.2 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -118.74 156.09 29.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.74 71.82 0.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.1 p -133.72 117.15 16.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.9 t -146.08 -45.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -144.02 -132.93 2.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.525 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 62.05 125.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.299 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -125.05 115.77 21.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -92.9 131.92 37.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -85.32 150.2 24.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 46' ' ' ILE . 45.6 mm -132.39 155.08 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.661 HG21 HG11 ' A' ' 62' ' ' VAL . 38.6 mm -128.42 138.36 54.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 mmm-85 -113.49 128.8 56.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.05 120.36 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -39.95 142.39 0.69 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.603 0.716 . . . . 0.0 110.873 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.3 Cg_endo -69.7 -33.46 16.79 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.9 p -60.06 -38.01 81.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.151 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.7 t -66.43 138.37 95.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.574 ' HB3' HG21 ' A' ' 60' ' ' THR . 69.7 mt -43.93 -35.1 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 t -38.79 -50.67 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.3 m -58.97 -46.53 87.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -53.07 124.9 39.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 131.61 21.66 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.5 -37.69 3.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.574 HG21 ' HB3' ' A' ' 54' ' ' LEU . 87.0 m -65.15 107.83 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 111.12 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -123.84 154.58 39.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.661 HG11 HG21 ' A' ' 46' ' ' ILE . 84.0 t -68.82 110.84 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.572 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 74.0 t80 -49.5 122.25 6.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.572 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 7.9 mt-10 46.93 -143.65 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.66 40.13 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -83.23 78.1 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.437 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 5.1 t30 -153.94 102.11 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.4 p -124.57 148.02 48.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.5 m -108.43 134.43 51.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.439 ' HB3' ' CD1' ' A' ' 150' ' ' TYR . 23.3 mt -121.83 132.27 54.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -112.29 151.12 30.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -152.24 107.47 3.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.405 HG22 ' CG ' ' A' ' 80' ' ' ASN . 5.7 p -117.22 157.34 26.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -141.33 159.0 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.708 HG23 ' O ' ' A' ' 75' ' ' ILE . 17.4 tt -83.73 53.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -140.01 111.22 7.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.4 m120 42.89 40.48 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.0 t30 48.02 54.96 9.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -83.09 114.87 21.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.535 ' O ' HG23 ' A' ' 104' ' ' VAL . 2.9 m-20 -129.56 125.26 35.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -116.04 176.89 4.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -152.77 126.26 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -112.61 136.49 52.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.8 mt -129.35 133.58 65.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.423 HG22 ' CD2' ' A' ' 125' ' ' PHE . 71.6 mt -136.36 108.89 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -125.53 154.41 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.2 tt -113.24 109.41 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.1 mt -94.85 163.29 13.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.594 ' OE1' ' CE2' ' A' ' 95' ' ' PHE . 4.5 tp60 -138.5 118.92 13.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -89.08 167.23 13.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -64.08 -29.13 70.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.59 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 44.1 m-20 -85.64 49.28 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 31.59 37.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.3 m-85 -118.77 119.65 35.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.611 ' CE2' HD13 ' A' ' 118' ' ' LEU . 21.8 m-85 -91.8 161.06 15.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.667 HG21 HD11 ' A' ' 112' ' ' ILE . 97.2 m -143.19 124.86 14.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 18.9 m -87.13 101.48 13.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -87.47 115.75 25.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -120.57 118.55 30.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.5 ttp85 -121.18 125.04 46.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 15.4 p90 -142.13 171.31 14.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.91 -135.6 5.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -103.26 129.0 50.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 80' ' ' ASN . 83.9 t -47.08 136.95 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 96.27 -43.68 2.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -95.27 168.51 10.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.889 0.376 . . . . 0.0 110.825 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 84.7 t -67.14 -44.89 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.03 -149.24 35.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -80.8 169.36 17.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 88.7 p -142.72 120.39 11.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.52 119.73 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.667 HD11 HG21 ' A' ' 96' ' ' THR . 14.4 tt -120.76 138.83 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.162 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.501 ' O ' HG23 ' A' ' 96' ' ' THR . 19.9 m-80 -129.59 139.07 51.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -110.1 121.55 45.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -115.21 122.84 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.5 p -65.16 -40.26 94.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -88.78 153.53 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.611 HD13 ' CE2' ' A' ' 95' ' ' PHE . 19.9 tp -79.98 -53.49 6.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 119' ' ' GLU . 15.2 mp0 -54.04 -49.87 68.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 120' ' ' ASP . 9.9 t0 -46.56 -46.6 19.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.15 -43.58 91.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.576 ' HE3' HD11 ' A' ' 118' ' ' LEU . 56.9 mttt -57.71 -44.31 85.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 20.4 mtpt -55.03 -40.79 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.424 ' C ' ' OD1' ' A' ' 124' ' ' ASP . 13.8 t0 -71.15 -37.49 72.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.447 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 4.6 t80 -67.84 -42.99 80.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -79.58 -39.21 32.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -62.81 -56.99 12.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 13.5 tppt? -57.97 -45.26 87.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -62.54 -57.99 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 134' ' ' LYS . 19.5 ttp180 -59.92 -29.16 68.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -77.88 -30.46 50.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.437 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 36.3 mmtm -84.47 -24.79 29.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 60.0 p -113.16 -6.01 13.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 130' ' ' ARG . 28.2 mtpt 54.47 35.82 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.891 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -144.21 169.53 17.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -88.24 146.0 25.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -72.29 -38.28 68.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.39 69.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 23.8 mt-10 -88.71 28.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -56.44 -24.97 48.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -48.34 80.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.551 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.7 p-80 -110.62 37.23 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 6.3 t80 -48.72 126.1 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 82.9 t -96.82 139.7 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 17.7 t -112.45 148.02 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -126.73 150.03 70.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.523 0.678 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 110.2 2.48 Favored 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.701 2.268 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 112.05 -36.68 4.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -77.87 -174.93 3.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.318 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.439 ' CD1' ' HB3' ' A' ' 70' ' ' LEU . 11.6 m-85 -76.01 161.11 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.0 p -123.28 157.7 32.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -97.52 108.37 21.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.617 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -116.54 171.92 5.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.795 ' O ' HG12 ' A' ' 155' ' ' VAL . 10.5 pt-20 -119.45 15.07 12.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.795 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.1 p 50.39 173.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.694 ' H ' HG22 ' A' ' 155' ' ' VAL . 16.8 pt20 -124.73 132.97 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.941 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -168.22 177.09 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.3 t -143.16 142.17 31.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.5 130.82 1.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -155.6 131.84 10.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.2 p -164.08 139.07 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 59.93 109.6 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.28 126.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.728 0.299 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -111.06 121.48 45.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -107.1 126.19 52.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.516 ' O ' HD13 ' A' ' 45' ' ' ILE . 48.9 ttt85 -51.77 147.96 6.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.516 HD13 ' O ' ' A' ' 44' ' ' ARG . 19.6 mm -138.34 153.52 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.548 HD12 ' ND2' ' A' ' 67' ' ' ASN . 12.8 mm -129.68 137.55 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 mmt-85 -108.0 116.28 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.533 HG22 HG23 ' A' ' 62' ' ' VAL . 71.9 t -46.37 114.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -34.83 142.67 0.24 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.723 . . . . 0.0 110.828 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.9 Cg_endo -69.78 -45.11 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.0 p -54.69 -25.3 26.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.556 ' HA ' ' CH2' ' A' ' 98' ' ' TRP . 1.2 t -75.0 132.53 76.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.703 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.41 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.622 ' HB3' HG21 ' A' ' 60' ' ' THR . 90.7 mt -44.71 -25.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.1 p -48.33 -48.62 36.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.9 p -55.12 -45.54 75.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -55.48 124.89 57.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 131.49 21.31 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.66 2.24 . . . . 0.0 112.298 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.3 -36.61 4.29 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.622 HG21 ' HB3' ' A' ' 54' ' ' LEU . 38.9 m -60.24 97.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 111.134 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -110.78 144.03 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.533 HG23 HG22 ' A' ' 48' ' ' VAL . 61.4 t -61.8 102.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.573 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 57.8 t80 -35.26 131.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.573 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 16.1 mt-10 34.37 -144.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -108.76 37.95 2.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -82.55 77.29 9.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.548 ' ND2' HD12 ' A' ' 46' ' ' ILE . 18.5 p-10 -149.82 107.05 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.4 p -131.31 142.22 50.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.7 m -103.08 133.44 48.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 mt -118.18 145.11 45.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -123.56 154.26 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -147.46 110.13 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.414 HG22 ' OD1' ' A' ' 80' ' ' ASN . 10.3 p -111.91 157.49 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -149.91 146.44 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.691 HG23 ' O ' ' A' ' 75' ' ' ILE . 2.6 tp -75.65 52.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -135.3 109.58 8.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 3.4 m120 41.99 40.67 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 77' ' ' ASN . 1.3 p-10 45.91 53.18 9.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -92.23 116.56 29.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.414 ' OD1' HG22 ' A' ' 73' ' ' THR . 47.1 m-20 -120.72 143.04 48.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -130.87 170.41 14.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -150.27 134.71 17.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.539 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 2.0 t80 -116.74 128.31 55.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.8 mt -112.87 142.91 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.605 HG22 ' CE2' ' A' ' 125' ' ' PHE . 62.8 mt -143.48 115.75 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -137.28 143.81 42.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.5 tt -105.0 112.06 25.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.432 HD12 HD12 ' A' ' 54' ' ' LEU . 36.1 mt -94.27 163.46 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -144.28 125.11 14.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -98.09 167.48 10.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 t -65.04 -23.49 67.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.588 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 11.4 m120 -86.9 46.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 31.6 36.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.588 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.1 m-85 -119.68 116.64 26.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.804 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 42.4 m-85 -91.4 162.16 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.4 m -144.72 126.57 15.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.9 m -82.14 105.85 13.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.556 ' CH2' ' HA ' ' A' ' 52' ' ' CYS . 58.3 t-105 -86.08 108.73 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -113.42 140.59 47.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 107' ' ' VAL . 19.0 ttm-85 -149.5 136.37 19.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 18.2 p90 -148.89 171.06 16.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.07 -154.65 25.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -92.45 137.32 32.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.1 t -55.78 135.21 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.48 -41.58 2.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -98.33 154.1 18.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.449 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 52.6 t -48.68 -48.75 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.0 -151.93 32.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.447 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 5.6 mt-30 -90.61 178.94 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.7 p -150.31 145.03 25.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -151.74 121.48 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.3 tt -121.84 133.12 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -127.65 120.4 27.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -89.88 136.6 32.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -126.2 140.41 52.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.1 p -84.36 -24.87 29.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -105.63 148.24 27.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.804 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 28.0 tp -75.1 -55.01 6.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CD ' ' H ' ' A' ' 119' ' ' GLU . 3.8 mp0 -49.18 -55.83 11.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -42.36 -46.34 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.98 -46.19 85.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -56.78 -44.36 81.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 19.1 mtpt -58.52 -47.74 83.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -64.03 -38.44 91.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.605 ' CE2' HG22 ' A' ' 85' ' ' ILE . 7.7 t80 -66.59 -62.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -58.98 -49.28 78.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -52.73 -54.53 32.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.0 tppt? -55.52 -49.84 71.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -56.42 -49.76 73.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 49.7 ttp85 -68.33 -29.63 68.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.03 -22.17 59.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.49 ' HD2' ' CE1' ' A' ' 150' ' ' TYR . 60.6 mmtt -102.08 -24.61 13.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.527 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 64.3 p -114.33 10.66 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 133' ' ' THR . 15.6 mtpp 35.22 39.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -145.57 158.2 43.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -88.85 131.41 35.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -52.35 -36.55 53.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.19 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.474 ' HB3' ' NE2' ' A' ' 142' ' ' HIS . 15.0 mt-10 -85.58 30.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -57.72 -11.43 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -62.99 -47.17 84.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.516 ' O ' HG23 ' A' ' 144' ' ' VAL . 1.5 p80 -104.06 36.86 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.527 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 55.5 t80 -45.83 93.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 142' ' ' HIS . 56.9 t -80.1 102.62 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.0 p -83.69 116.42 22.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -89.26 150.28 44.56 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.622 0.725 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 114.79 3.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.746 2.297 . . . . 0.0 112.365 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 114.51 -39.28 2.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -74.89 -175.8 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.539 ' CE2' ' HB2' ' A' ' 83' ' ' TYR . 27.6 m-85 -74.51 162.67 28.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.3 p -120.69 161.72 20.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.094 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 38.3 tp -102.12 110.27 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.541 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -117.26 169.3 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.82 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.589 ' O ' HG12 ' A' ' 155' ' ' VAL . 14.5 pt-20 -122.66 19.49 10.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.802 HG22 ' H ' ' A' ' 156' ' ' GLN . 1.5 p 45.09 -175.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.802 ' H ' HG22 ' A' ' 155' ' ' VAL . 76.0 mt-30 -144.75 86.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.922 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 p 49.91 178.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.905 0.383 . . . . 0.0 110.851 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.6 t -151.78 -47.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.82 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.02 -139.66 27.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 p -143.7 152.96 41.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.1 p -90.88 112.42 24.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.501 ' O ' ' HB2' ' A' ' 41' ' ' ALA . . . 164.58 -64.79 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 40' ' ' GLY . . . 173.96 135.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.312 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -68.06 129.35 39.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -91.9 128.33 37.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -35.47 144.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.7 mm -133.27 141.36 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.56 HG21 HG11 ' A' ' 62' ' ' VAL . 13.6 mm -128.74 138.04 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.53 111.62 18.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.517 ' CG2' HG23 ' A' ' 62' ' ' VAL . 88.9 t -39.18 126.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.443 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.9 t70 -46.04 142.42 3.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.9 Cg_endo -69.77 -34.93 13.57 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.8 p -57.27 -35.99 70.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.8 t -66.86 139.42 95.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.22 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.625 2.217 . . . . 0.0 112.36 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.9 mt -46.6 -33.97 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.1 t -39.13 -45.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 t -58.48 -46.95 85.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -54.53 126.08 54.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.756 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.36 42.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.48 -38.84 2.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.7 m -56.82 113.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.699 0.285 . . . . 0.0 111.13 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -119.31 166.59 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.56 HG11 HG21 ' A' ' 46' ' ' ILE . 70.3 t -84.51 102.04 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.538 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 71.4 t80 -34.47 127.05 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.538 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 13.3 mt-10 35.24 -147.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -97.8 31.57 2.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -73.29 82.66 1.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.433 ' ND2' HD12 ' A' ' 46' ' ' ILE . 15.2 p-10 -159.92 88.91 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.3 p -115.73 142.2 47.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.435 ' O ' HD23 ' A' ' 70' ' ' LEU . 85.1 m -101.61 137.38 40.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 69' ' ' THR . 24.0 mt -124.16 130.72 53.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -111.14 152.08 27.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -149.32 105.24 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.519 HG22 ' CG ' ' A' ' 80' ' ' ASN . 13.0 p -107.08 157.94 17.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -146.95 145.93 29.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.632 HG23 ' O ' ' A' ' 75' ' ' ILE . 2.6 tp -75.5 52.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -135.57 109.64 8.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 42.07 40.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.3 m120 46.16 54.92 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -93.38 116.66 29.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.519 ' CG ' HG22 ' A' ' 73' ' ' THR . 36.4 m-20 -123.5 132.48 53.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -117.96 174.02 6.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -150.14 133.11 16.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 150' ' ' TYR . 0.5 OUTLIER -119.78 119.47 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.6 mt -111.58 131.06 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.508 HD13 ' HB3' ' A' ' 128' ' ' LYS . 86.9 mt -130.73 105.3 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -122.15 146.51 47.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.0 tt -106.23 116.73 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.3 mt -101.68 163.52 12.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.539 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 22.3 tt0 -148.29 125.0 11.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 94' ' ' PHE . 4.4 p30 -94.5 170.39 9.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 m -74.56 -3.83 33.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.545 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 3.2 m120 -95.49 37.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 mtp-105 40.97 34.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.545 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 20.4 m-85 -131.01 121.9 25.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.694 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 26.2 m-85 -93.57 161.96 14.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.702 HG21 HD11 ' A' ' 112' ' ' ILE . 89.0 m -144.27 118.76 9.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.168 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.5 m -84.65 105.13 15.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -86.99 126.71 34.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -122.82 124.93 44.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -132.3 108.96 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.466 ' NE1' ' HB2' ' A' ' 109' ' ' GLN . 26.7 p90 -123.1 161.97 23.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.28 -167.58 31.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -73.88 136.53 43.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.5 t -53.0 117.58 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 115.93 -39.38 2.75 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -92.16 173.61 7.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.7 t -75.24 -42.7 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.3 -165.77 50.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.466 ' HB2' ' NE1' ' A' ' 101' ' ' TRP . 19.9 mt-30 -70.8 158.71 35.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.0 p -120.93 119.05 31.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -135.71 122.32 20.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.702 HD11 HG21 ' A' ' 96' ' ' THR . 6.8 tt -124.28 150.34 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.438 ' O ' HG23 ' A' ' 96' ' ' THR . 11.0 m120 -139.39 132.62 29.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -112.37 122.76 48.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -115.27 136.59 52.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 29.9 p -76.85 -34.43 57.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -102.62 125.09 49.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.694 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 22.4 tp -47.77 -54.91 10.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -46.64 -62.16 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -40.83 -42.99 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.48 -44.11 92.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -58.47 -42.14 86.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 21.0 mtpp -55.9 -49.76 72.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -48.47 80.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.469 ' CE2' HG22 ' A' ' 85' ' ' ILE . 5.4 t80 -58.46 -61.14 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.31 -44.09 88.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -54.6 -54.9 35.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.508 ' HB3' HD13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -56.97 -54.07 50.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -52.92 -57.09 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 134' ' ' LYS . 11.8 ttt-85 -62.81 -31.24 72.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -73.42 -25.32 60.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -97.19 -17.85 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.563 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 43.5 p -124.53 13.19 8.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 130' ' ' ARG . 37.5 mtpt 34.14 36.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 133' ' ' THR . 41.7 m-80 -137.41 163.84 30.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -96.68 130.9 43.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -51.74 -41.85 61.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.62 83.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.639 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 14.5 mt-10 -97.08 35.78 1.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.1 ptt85 -61.43 -16.78 50.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -59.47 -51.02 71.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.639 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -91.42 34.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.768 ' CE2' HD23 ' A' ' 152' ' ' LEU . 7.6 t80 -56.84 118.23 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 2.6 p -98.88 120.53 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.3 p -89.92 101.01 13.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -82.57 149.84 61.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.552 0.691 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 123.57 10.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 103.1 -43.06 1.74 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.482 ' HZ3' ' HD2' ' A' ' 134' ' ' LYS . 2.9 mmmm -72.44 -174.9 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 83' ' ' TYR . 16.5 m-85 -73.2 176.09 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.2 p -135.76 157.07 47.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.768 HD23 ' CE2' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -95.58 114.03 25.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.657 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -125.38 174.19 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.581 ' O ' HG12 ' A' ' 155' ' ' VAL . 11.2 pt-20 -123.62 22.97 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.763 HG22 ' H ' ' A' ' 156' ' ' GLN . 1.4 p 44.85 -175.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.763 ' H ' HG22 ' A' ' 155' ' ' VAL . 56.8 mt-30 -126.93 104.02 7.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.932 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 p -150.99 159.94 44.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.9 m -42.12 151.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.25 -65.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -81.02 95.41 6.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.5 m 61.86 145.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.34 -176.38 33.75 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.97 137.92 50.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.726 0.298 . . . . 0.0 111.08 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -52.14 107.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -81.05 143.32 32.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -53.0 166.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.4 mm -131.19 140.35 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 47' ' ' ARG . 23.9 mm -116.74 157.1 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.448 ' N ' HG22 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -136.75 118.0 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.499 HG12 ' OG ' ' A' ' 55' ' ' SER . 63.5 t -49.72 112.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -38.17 136.8 0.8 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.571 0.701 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -23.99 29.89 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.254 . . . . 0.0 112.35 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.528 HG21 ' NH1' ' A' ' 100' ' ' ARG . 46.3 p -69.94 -29.28 66.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.66 132.74 92.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.14 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.71 2.274 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.19 -10.76 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.499 ' OG ' HG12 ' A' ' 48' ' ' VAL . 45.5 m -61.59 -47.08 87.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.3 t -53.08 -42.29 65.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -57.95 130.86 83.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.594 0.712 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 130.61 19.73 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.57 -36.85 4.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.1 m -59.71 104.63 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 0.0 111.153 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -120.76 177.42 5.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.444 HG23 HG22 ' A' ' 48' ' ' VAL . 62.1 t -91.13 116.62 32.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 49.0 t80 -55.95 114.5 1.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 9.8 mt-10 54.84 -142.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -107.28 38.01 2.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -79.47 77.37 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -154.85 104.24 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.5 p -128.67 134.35 48.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.9 m -96.24 132.79 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.9 mt -117.85 142.94 46.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -119.07 157.08 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.406 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 35.8 tp60 -155.39 110.42 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -124.14 152.92 42.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -141.19 159.18 42.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 75' ' ' ILE . 15.4 tt -82.49 53.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.57 111.69 7.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 m120 42.87 40.51 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.475 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 10.1 m-80 46.98 53.86 9.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -77.26 113.46 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.658 ' C ' HG23 ' A' ' 104' ' ' VAL . 0.8 OUTLIER -122.9 120.84 34.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -118.39 179.14 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -157.91 131.43 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.579 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 1.7 t80 -118.4 123.17 44.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 79.5 mt -114.13 140.64 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.481 HG22 ' CD2' ' A' ' 125' ' ' PHE . 81.0 mt -142.67 109.0 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -124.38 156.7 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.545 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.9 tt -114.46 107.18 15.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 23.2 mt -93.11 154.24 18.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -132.12 117.88 18.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -85.58 170.08 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 m -65.3 -30.54 71.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.584 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 31.5 m-80 -83.4 46.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 92' ' ' ASN . 9.9 ptm180 35.04 34.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.0 m-85 -115.0 118.1 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.832 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 6.7 m-85 -90.82 156.61 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.501 HG21 HD11 ' A' ' 112' ' ' ILE . 51.9 m -143.95 118.54 9.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.94 105.85 14.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 27.3 t-105 -85.98 124.05 32.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -120.55 140.55 51.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.528 ' NH1' HG21 ' A' ' 51' ' ' THR . 37.9 ttt180 -148.28 111.71 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 33.7 p90 -130.44 165.27 22.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.33 -138.24 6.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -91.39 128.74 37.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.658 HG23 ' C ' ' A' ' 80' ' ' ASN . 64.8 t -49.96 124.27 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.47 -42.82 1.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -93.8 170.91 9.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.1 t -69.17 -39.19 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.03 -156.67 53.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.551 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -59.67 174.18 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.8 p -144.12 120.36 10.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.52 132.63 23.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.501 HD11 HG21 ' A' ' 96' ' ' THR . 7.6 tt -131.63 137.78 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.506 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 17.7 m-80 -123.54 120.65 33.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -102.01 116.87 33.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 113' ' ' ASN . 80.1 m-85 -109.44 128.59 55.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 16.8 p -69.66 -44.4 70.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -90.75 149.78 21.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.832 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 36.5 tp -68.18 -55.49 12.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -51.62 -46.96 63.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.01 -43.91 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . . . -65.62 -47.95 73.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -54.81 -42.79 72.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -56.53 -44.7 81.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -67.45 -48.88 65.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.481 ' CD2' HG22 ' A' ' 85' ' ' ILE . 5.0 t80 -57.59 -54.67 44.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.82 -50.73 71.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 2.4 tmmm? -48.07 -57.32 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.462 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -53.2 -56.04 19.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.961 179.807 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -50.61 -59.63 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 134' ' ' LYS . 37.9 ttt180 -58.81 -31.97 68.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -71.71 -28.99 64.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -95.56 -20.17 19.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.496 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 46.8 p -117.02 9.68 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 130' ' ' ARG . 37.1 mtpt 35.28 38.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 144' ' ' VAL . 3.4 m-80 -143.61 161.55 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -84.1 139.05 32.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -66.91 -33.99 76.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.16 -43.64 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.554 ' HB2' ' CE1' ' A' ' 142' ' ' HIS . 9.3 mt-10 -90.28 35.69 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -55.96 -12.89 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.8 -42.45 99.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.618 ' O ' HG23 ' A' ' 144' ' ' VAL . 0.8 OUTLIER -102.08 39.18 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.496 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 60.9 t80 -49.56 92.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 142' ' ' HIS . 46.8 t -84.61 107.26 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 t -86.3 150.27 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -126.53 152.15 73.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.587 0.708 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 112.49 3.09 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.306 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 116.4 -31.23 6.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -85.17 -176.29 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.327 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 83' ' ' TYR . 20.2 m-85 -79.07 160.12 27.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.3 p -117.82 166.49 12.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 35.8 tp -106.35 113.47 27.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.562 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -119.43 173.87 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.578 ' O ' HG12 ' A' ' 155' ' ' VAL . 12.8 pt-20 -126.41 18.89 7.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.813 HG22 ' H ' ' A' ' 156' ' ' GLN . 1.5 p 44.9 -174.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.813 ' H ' HG22 ' A' ' 155' ' ' VAL . 20.9 mt-30 -141.13 84.08 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.914 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.6 p -168.91 157.98 8.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.832 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.4 p -172.32 138.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.49 -101.3 0.87 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.7 p -156.25 118.17 3.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.374 . . . . 0.0 110.891 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -117.84 -56.01 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 159.51 81.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.67 131.38 5.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -136.06 134.12 38.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -92.42 115.46 28.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 44' ' ' ARG . 13.0 ttm105 -56.0 134.66 52.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.502 HG21 HH21 ' A' ' 47' ' ' ARG . 30.0 mm -121.86 139.74 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.56 HG21 HG11 ' A' ' 62' ' ' VAL . 28.9 mm -118.65 144.78 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.502 HH21 HG21 ' A' ' 45' ' ' ILE . 26.1 mmt85 -130.74 112.49 13.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.414 HG22 HG23 ' A' ' 62' ' ' VAL . 86.1 t -43.01 116.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.446 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.1 t70 -40.99 142.64 0.82 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.583 0.706 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.446 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.4 Cg_endo -69.79 -44.86 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.5 p -55.01 -28.93 55.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.5 t -68.06 135.94 91.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.728 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.642 ' HB3' HG21 ' A' ' 60' ' ' THR . 88.9 mt -42.52 -36.94 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 p -41.29 -45.83 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.4 m -55.77 -47.1 77.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -58.36 127.1 80.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.53 28.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.75 -30.09 11.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.642 HG21 ' HB3' ' A' ' 54' ' ' LEU . 92.4 m -61.98 110.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 111.093 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -126.6 152.78 46.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.56 HG11 HG21 ' A' ' 46' ' ' ILE . 95.1 t -69.0 113.99 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 49.8 t80 -53.04 112.78 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.557 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 8.5 mt-10 58.81 -141.39 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -109.17 43.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -88.31 80.99 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -162.29 121.55 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.2 m -161.25 156.07 23.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.6 m -106.11 144.77 32.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.9 mt -121.86 142.11 50.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -124.73 144.42 50.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.481 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 6.2 tp60 -146.33 113.62 6.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.6 p -117.32 157.33 26.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -149.1 148.1 29.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 75' ' ' ILE . 6.9 tt -75.56 51.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.138 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -134.05 108.92 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 42.4 41.1 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 48.82 54.98 9.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.429 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 4.9 t-20 -82.64 112.41 19.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 79' ' ' ASN . 2.6 m-20 -131.64 123.88 28.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -132.77 172.06 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -139.6 151.63 46.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -133.59 129.94 37.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.507 HD12 ' HB3' ' A' ' 100' ' ' ARG . 14.5 mt -115.57 140.53 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.588 HG22 ' CD2' ' A' ' 125' ' ' PHE . 31.1 mt -142.47 109.42 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -130.14 145.31 51.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.51 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.7 tt -105.31 115.66 30.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.615 HD12 HD12 ' A' ' 54' ' ' LEU . 23.9 mt -106.07 161.61 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.495 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 3.5 tm0? -144.9 129.13 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -96.03 171.35 8.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 t -83.79 28.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -122.87 23.57 9.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 59.61 25.0 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -127.24 131.81 50.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.579 ' CE2' HD13 ' A' ' 118' ' ' LEU . 53.1 m-85 -101.12 154.16 18.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.7 m -134.08 127.49 32.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.14 111.28 21.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -89.69 119.67 30.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -122.13 149.39 43.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.58 ' NH1' HG12 ' A' ' 107' ' ' VAL . 14.6 ttm-85 -154.88 139.72 17.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 33.9 p90 -148.78 176.43 10.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.15 -166.57 27.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -76.64 137.65 39.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.918 0.389 . . . . 0.0 110.825 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.5 t -56.22 124.64 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.03 -42.32 1.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -94.54 168.33 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.58 HG12 ' NH1' ' A' ' 100' ' ' ARG . 22.6 t -67.9 -47.2 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.57 -150.36 36.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.427 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 9.2 mm100 -87.55 -176.22 5.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 79.7 p -155.42 144.52 20.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -150.56 145.29 25.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.4 tt -137.42 137.16 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.138 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -122.73 130.88 53.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -103.32 132.97 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -125.13 141.63 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 28.6 p -78.69 -40.25 34.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -96.57 148.0 23.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.579 HD13 ' CE2' ' A' ' 95' ' ' PHE . 15.6 tp -70.91 -52.29 20.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -51.18 -52.14 47.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -45.33 -43.95 11.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.49 -48.62 71.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -54.65 -43.94 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -55.67 -50.19 70.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.12 -44.67 96.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.588 ' CD2' HG22 ' A' ' 85' ' ' ILE . 3.9 t80 -59.92 -58.82 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -62.33 -39.41 92.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -56.26 -54.71 42.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 11.7 tppt? -58.22 -53.87 53.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -57.3 -64.8 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -52.51 -16.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 127' ' ' LYS . 7.7 mm-40 -91.02 -26.86 18.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.511 ' HD2' ' CD1' ' A' ' 150' ' ' TYR . 41.2 mmtt -95.73 -19.77 19.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.466 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 44.9 p -115.64 -6.95 12.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.403 ' CD ' ' HG3' ' A' ' 149' ' ' LYS . 56.3 mtpt 51.3 39.35 23.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -150.14 141.42 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -63.25 139.01 58.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -64.87 -33.81 76.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.25 -38.08 68.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 12.8 mt-10 -92.11 35.23 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.4 ptt85 -59.28 -20.93 58.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -53.2 -45.95 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -98.78 40.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.466 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 60.2 t80 -57.36 111.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.467 ' O ' ' CD2' ' A' ' 146' ' ' HIS . 89.9 t -98.28 109.9 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 84.5 p -79.28 99.46 7.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 144' ' ' VAL . 8.8 m-70 -81.89 142.66 48.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.584 0.707 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.23 4.0 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.242 . . . . 0.0 112.367 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 119.44 -39.03 2.62 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.403 ' HG3' ' CD ' ' A' ' 134' ' ' LYS . 20.9 mmmt -83.04 -179.25 7.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.511 ' CD1' ' HD2' ' A' ' 132' ' ' LYS . 30.2 m-85 -72.97 160.47 32.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 17.4 p -117.04 160.69 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.171 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 35.0 tp -103.51 107.26 18.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.654 ' N ' HD13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -110.43 168.67 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.833 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.796 ' O ' HG12 ' A' ' 155' ' ' VAL . 9.3 pt-20 -115.98 12.35 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.6 p 50.49 172.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLN . . . . . 0.69 ' H ' HG22 ' A' ' 155' ' ' VAL . 25.1 mt-30 -103.97 104.06 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.3 mm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.786 0.327 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.681 HG21 HG11 ' A' ' 62' ' ' VAL . 41.2 mm -118.99 147.69 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -125.71 119.65 28.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.1 t -48.79 122.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 4.1 t70 -40.61 141.4 0.91 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.5 Cg_endo -69.75 -47.79 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.1 p -52.38 -26.72 13.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.5 t -73.59 138.92 77.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.28 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.63 ' HB3' HG21 ' A' ' 60' ' ' THR . 22.5 mt -46.67 -34.6 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.2 p -40.68 -48.28 2.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 t -62.55 -43.1 99.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -55.89 129.3 71.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.631 0.729 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.22 32.47 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.58 -32.24 7.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.63 HG21 ' HB3' ' A' ' 54' ' ' LEU . 98.0 m -63.65 109.61 1.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 0.0 111.155 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -123.04 166.84 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.681 HG11 HG21 ' A' ' 46' ' ' ILE . 80.5 t -83.53 106.25 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.581 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 82.9 t80 -44.51 119.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.581 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 15.3 mt-10 50.64 -144.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.23 30.61 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.562 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 30.7 m-85 -75.02 74.73 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.423 ' CG ' HD12 ' A' ' 46' ' ' ILE . 2.7 p30 -146.02 103.98 3.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.0 p -133.23 136.34 45.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.0 m -100.98 136.04 41.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.3 mt -119.78 142.14 48.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -118.75 160.19 22.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -153.43 107.82 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -110.31 150.27 28.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -146.24 142.33 28.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 75' ' ' ILE . 10.0 tt -75.73 51.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -133.65 107.78 8.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 41.86 40.94 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 46.73 54.55 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -98.37 119.49 37.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.404 ' HB2' ' CG2' ' A' ' 104' ' ' VAL . 0.8 OUTLIER -131.19 145.74 52.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CA ' HG23 ' A' ' 104' ' ' VAL . 30.1 mttm -132.35 158.13 42.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -131.33 135.04 46.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -118.44 125.07 49.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 79.9 mt -119.27 133.16 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.427 HG22 ' CD2' ' A' ' 125' ' ' PHE . 58.4 mt -133.15 102.94 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -120.36 147.79 44.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.3 tt -107.3 115.4 30.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.0 mt -103.06 163.42 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -147.27 125.9 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -95.09 168.9 10.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t -72.4 -1.47 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.476 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 3.3 m120 -99.89 37.14 1.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 40.39 39.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 21.3 m-85 -133.15 123.07 24.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.875 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 40.1 m-85 -91.75 160.34 15.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.45 HG21 HD11 ' A' ' 112' ' ' ILE . 17.8 m -142.29 122.09 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 34.1 m -85.63 106.31 16.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -86.54 113.26 22.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -118.75 119.12 33.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -126.25 133.07 51.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.4 p90 -141.38 172.79 12.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.5 -137.74 5.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -110.47 128.19 55.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.404 ' CG2' ' HB2' ' A' ' 80' ' ' ASN . 45.0 t -49.55 115.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.47 -34.97 4.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -103.13 174.17 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 66.3 t -69.09 -45.82 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.23 -161.68 53.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -79.64 -176.02 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.5 p -155.34 121.97 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -127.73 140.62 51.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.45 HD11 HG21 ' A' ' 96' ' ' THR . 9.1 tt -135.55 140.62 44.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 96' ' ' THR . 23.1 m120 -129.32 135.47 48.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -107.07 126.93 53.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -120.66 132.1 54.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.2 p -73.69 -39.84 64.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -93.6 146.94 23.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.875 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 34.1 tp -69.93 -61.9 1.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -45.67 -49.7 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -45.31 -49.31 12.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.67 93.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -56.69 -47.78 79.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -51.97 -39.14 58.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.41 -40.82 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 66' ' ' TYR . 5.3 t80 -62.82 -46.91 85.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -74.06 -49.95 21.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 127' ' ' LYS . 0.2 OUTLIER -50.68 -55.79 14.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 13.7 tppt? -57.86 -57.4 12.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -47.36 -58.18 4.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 134' ' ' LYS . 11.1 ttt85 -60.19 -30.78 69.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.25 -22.89 61.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -99.88 -24.69 14.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.448 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 70.6 p -111.67 4.44 18.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 130' ' ' ARG . 15.2 mtpp 42.19 33.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 5.6 m-80 -140.31 167.87 21.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -95.41 136.32 35.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -59.12 -36.55 75.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.74 -42.13 74.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.574 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 13.9 mt-10 -91.61 35.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -60.46 -16.1 33.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.5 -44.76 89.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -98.77 35.85 1.77 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 41.5 t80 -54.96 107.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 99.6 t -90.06 120.72 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.4 p -89.34 110.18 21.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -89.9 148.33 39.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 111.66 2.88 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 109.37 -36.54 4.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -68.66 -177.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -82.59 141.83 32.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 19.3 p -100.21 166.04 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.2 tt -110.4 114.94 28.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.559 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -116.24 169.98 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.796 ' O ' HG12 ' A' ' 155' ' ' VAL . 10.3 pt-20 -119.13 14.78 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.9 p 50.43 172.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' GLN . . . . . 0.681 ' H ' HG22 ' A' ' 155' ' ' VAL . 34.2 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.1 mm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.836 0.35 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.74 HG21 HG11 ' A' ' 62' ' ' VAL . 46.0 mm -122.71 138.34 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -112.59 121.39 44.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.48 HG22 HG23 ' A' ' 62' ' ' VAL . 67.0 t -52.14 110.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 2.4 t70 -35.28 142.03 0.27 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.0 Cg_endo -69.76 -41.07 4.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.498 HG21 ' CD ' ' A' ' 100' ' ' ARG . 37.0 p -51.26 -27.53 9.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.3 t -78.45 136.83 59.82 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.604 0.716 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -47.61 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.734 ' HB3' HG21 ' A' ' 60' ' ' THR . 41.2 mt -45.23 -36.38 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -39.83 -47.17 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.4 t -62.03 -44.02 97.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -57.33 127.96 77.81 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.98 20.21 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.219 . . . . 0.0 112.36 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.55 -36.54 4.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.734 HG21 ' HB3' ' A' ' 54' ' ' LEU . 93.3 m -64.12 109.61 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 111.164 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -126.51 154.1 44.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.74 HG11 HG21 ' A' ' 46' ' ' ILE . 90.8 t -66.97 105.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 59.4 t80 -47.87 115.47 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.558 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 13.1 mt-10 55.02 -146.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.1 34.22 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.4 ' HD1' ' CE1' ' A' ' 125' ' ' PHE . 23.3 m-85 -77.9 79.39 4.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.2 t30 -152.49 101.1 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.9 p -125.19 141.92 51.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.7 m -102.19 133.21 47.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.7 mt -115.86 146.04 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -130.67 148.33 52.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.545 ' OE1' ' CZ ' ' A' ' 150' ' ' TYR . 13.2 pt20 -150.59 124.52 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.5 p -124.85 155.49 39.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -144.84 148.9 34.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 75' ' ' ILE . 9.0 tt -75.53 50.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.85 108.61 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.3 p30 42.42 40.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 30.9 m120 48.08 54.98 9.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -81.51 112.38 18.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -132.66 127.32 34.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -129.92 178.85 6.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -145.32 135.58 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -119.63 123.7 44.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.6 mt -117.42 138.27 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.504 HG22 ' CD2' ' A' ' 125' ' ' PHE . 50.1 mt -137.42 110.5 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -126.82 146.25 50.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.543 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.4 tt -104.75 107.55 18.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.3 mt -94.12 151.69 19.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.451 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -118.72 143.38 46.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.48 164.85 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 t -66.74 -21.4 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.44 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 2.4 m-80 -85.05 45.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' ASN . 8.0 ptm180 36.6 35.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.44 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 17.6 m-85 -121.71 -175.48 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.605 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 58.8 m-85 -148.93 164.65 33.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.522 HG21 HD11 ' A' ' 112' ' ' ILE . 48.6 m -142.83 123.28 13.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.4 m -83.97 103.99 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 -89.75 110.62 21.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -113.64 117.75 32.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.498 ' CD ' HG21 ' A' ' 51' ' ' THR . 36.8 ttp85 -123.16 111.96 17.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.544 ' CZ3' ' HB2' ' A' ' 111' ' ' LYS . 27.4 p90 -121.6 163.91 18.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.07 -171.99 33.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.437 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -72.01 139.87 48.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.0 t -55.9 115.04 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 116.58 -39.06 2.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.55 170.19 10.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.0 t -69.03 -46.97 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.33 -167.72 43.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -70.53 176.54 4.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.6 p -136.17 118.43 15.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.544 ' HB2' ' CZ3' ' A' ' 101' ' ' TRP . 9.5 tptp -129.95 134.6 47.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.522 HD11 HG21 ' A' ' 96' ' ' THR . 14.0 tt -141.83 134.38 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -128.56 135.34 49.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -106.17 121.11 43.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -115.76 134.44 55.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.421 ' HA ' ' CD1' ' A' ' 94' ' ' PHE . 54.5 p -81.13 -37.87 28.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 36.6 mtt-85 -91.88 113.6 25.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.605 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 18.3 tp -43.55 -53.23 5.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -49.25 -55.61 12.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.42 -48.23 5.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.02 -48.52 81.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -55.67 -47.74 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -55.56 -44.01 76.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -66.89 -36.57 82.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.504 ' CD2' HG22 ' A' ' 85' ' ' ILE . 6.4 t80 -67.41 -46.47 73.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -74.04 -38.61 63.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.28 -56.94 15.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -56.24 -49.93 72.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -56.4 -56.59 19.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 134' ' ' LYS . 13.9 ttt85 -60.93 -30.9 70.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.04 -24.8 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.577 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 23.6 mmtp -97.4 -26.83 14.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.459 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 72.4 p -112.37 10.55 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 130' ' ' ARG . 31.2 mtpt 35.04 39.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -143.74 166.7 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -94.0 138.92 31.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -61.62 -35.43 77.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.4 -31.79 71.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.577 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 31.6 mt-10 -86.29 24.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -51.73 -25.48 7.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -56.64 -50.29 72.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.4 p-80 -111.06 46.36 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 24.7 t80 -56.52 115.47 2.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 92.2 t -92.42 143.15 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.9 t -116.66 150.97 37.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -132.32 151.8 78.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.552 0.692 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 124.54 11.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 101.87 -40.19 2.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -76.82 -175.5 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.577 ' CD2' ' HD2' ' A' ' 132' ' ' LYS . 24.8 m-85 -80.37 157.16 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.5 p -117.93 166.6 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 41.8 tp -106.7 111.88 24.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.54 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -117.61 175.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.804 ' O ' HG12 ' A' ' 155' ' ' VAL . 13.9 pt-20 -124.47 17.98 8.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.804 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.5 p 50.45 172.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' GLN . . . . . 0.692 ' H ' HG22 ' A' ' 155' ' ' VAL . 18.7 pt20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.579 HG21 HH21 ' A' ' 47' ' ' ARG . 27.1 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.76 0.314 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.678 HG21 HG11 ' A' ' 62' ' ' VAL . 24.9 mm -114.91 159.61 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.579 HH21 HG21 ' A' ' 45' ' ' ILE . 8.9 mmt180 -141.72 116.95 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.497 ' CG2' HG23 ' A' ' 62' ' ' VAL . 94.8 t -43.58 107.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -34.61 142.51 0.23 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 110.878 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.4 Cg_endo -69.78 -36.22 11.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.331 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 p -55.76 -34.87 65.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.537 ' HA ' ' CH2' ' A' ' 98' ' ' TRP . 9.3 t -67.68 138.08 93.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.63 0.728 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.381 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.696 ' HB3' HG21 ' A' ' 60' ' ' THR . 96.1 mt -46.54 -34.84 5.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.5 p -40.16 -44.72 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.3 t -59.89 -44.81 94.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.821 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -58.03 130.04 82.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.06 41.94 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.7 -39.85 2.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.696 HG21 ' HB3' ' A' ' 54' ' ' LEU . 89.5 m -57.98 104.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.716 0.293 . . . . 0.0 111.146 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -117.89 167.63 11.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.678 HG11 HG21 ' A' ' 46' ' ' ILE . 91.2 t -84.2 102.27 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 67.9 t80 -40.91 125.05 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.577 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 13.5 mt-10 41.4 -146.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -107.47 39.86 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.549 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 43.5 m-85 -84.59 78.89 9.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.487 HD22 HG23 ' A' ' 46' ' ' ILE . 1.6 t30 -157.32 106.54 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.3 p -133.2 143.16 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.5 m -100.98 135.78 41.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.0 mt -119.95 143.61 47.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -122.32 150.99 41.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -146.44 107.43 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.8 p -110.01 156.91 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -148.51 146.3 28.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 75' ' ' ILE . 10.0 tt -75.71 52.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -134.2 108.58 8.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 41.95 40.77 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 47.43 54.78 9.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -94.75 114.88 26.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -123.08 141.31 52.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' N ' HG23 ' A' ' 104' ' ' VAL . 18.3 mtpp -136.13 167.37 21.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.54 ' HE2' HD11 ' A' ' 84' ' ' ILE . 5.4 p90 -146.12 150.54 36.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -125.05 136.61 53.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.54 HD11 ' HE2' ' A' ' 82' ' ' PHE . 18.1 mt -120.05 140.35 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.625 HG22 ' CD2' ' A' ' 125' ' ' PHE . 55.5 mt -143.07 106.86 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -127.98 141.91 51.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 tt -103.95 109.55 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.0 mt -94.57 155.02 17.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.447 ' HG3' ' CE2' ' A' ' 95' ' ' PHE . 56.1 tt0 -127.85 131.55 49.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -100.14 170.73 8.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 66.5 m -71.63 -31.01 66.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.587 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 44.9 m-20 -85.49 49.07 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' ASN . 12.6 ptm180 34.59 35.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 22.4 m-85 -118.13 117.53 29.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.546 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 74.2 m-85 -94.11 159.67 15.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 113' ' ' ASN . 47.5 m -140.63 125.78 18.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 113' ' ' ASN . 8.7 m -82.26 102.57 11.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.537 ' CH2' ' HA ' ' A' ' 52' ' ' CYS . 39.3 t-105 -87.44 115.54 24.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -120.41 141.75 49.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.521 ' HB3' HD12 ' A' ' 84' ' ' ILE . 15.2 ttm-85 -146.8 135.61 22.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 21.6 p90 -148.35 179.17 7.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.46 -141.26 9.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -100.17 137.75 38.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 81' ' ' LYS . 99.0 t -59.76 112.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.67 -30.68 5.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -112.15 150.11 31.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.557 ' CG1' ' N ' ' A' ' 108' ' ' GLY . 1.4 p -41.78 -47.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.557 ' N ' ' CG1' ' A' ' 107' ' ' VAL . . . 82.39 -150.87 29.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.446 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.422 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 9.9 mm-40 -86.62 -174.8 5.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 66.3 p -150.3 139.87 21.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -153.47 124.75 7.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.0 tt -123.67 136.57 59.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.619 ' O ' HG23 ' A' ' 96' ' ' THR . 3.3 m-80 -122.18 136.8 54.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -107.3 133.63 51.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -133.74 133.17 41.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.5 p -78.67 -36.76 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -92.7 139.09 30.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.546 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 18.8 tp -64.73 -63.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -43.43 -52.55 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.25 -49.48 6.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.89 96.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -57.82 -45.24 86.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 38.0 mtpt -57.35 -45.16 84.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.84 -46.8 77.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.625 ' CD2' HG22 ' A' ' 85' ' ' ILE . 3.3 t80 -57.94 -53.67 55.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.2 -52.75 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -48.24 -56.14 8.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 14.3 tppt? -51.75 -45.65 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.413 ' CD2' ' N ' ' A' ' 130' ' ' ARG . 18.0 t80 -64.29 -66.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 134' ' ' LYS . 8.6 ttt-85 -49.3 -29.82 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -73.37 -31.52 63.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.563 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 40.4 mmtt -91.12 -22.62 20.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 82.6 p -113.83 6.08 16.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.168 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 130' ' ' ARG . 27.6 mtpp 39.2 39.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 2.8 m-80 -144.86 163.26 34.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -91.06 134.05 34.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -56.52 -39.03 72.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.31 89.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.594 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 13.2 mt-10 -92.37 38.22 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 19.0 ptt-85 -63.18 -17.32 62.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.82 -47.2 80.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -94.45 34.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 74.6 t80 -52.01 116.13 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 95.8 t -99.13 128.03 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.2 p -96.93 109.52 22.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -93.15 153.03 41.72 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 120.36 7.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 97.37 -40.85 2.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.74 177.73 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.563 ' CD2' ' HD2' ' A' ' 132' ' ' LYS . 16.5 m-85 -79.04 142.21 36.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.6 p -101.41 166.54 10.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 44.4 tp -109.29 109.71 20.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.526 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -115.9 168.61 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.802 ' O ' HG12 ' A' ' 155' ' ' VAL . 10.4 pt-20 -118.1 17.24 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.802 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.1 p 50.58 173.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' GLN . . . . . 0.692 ' H ' HG22 ' A' ' 155' ' ' VAL . 49.0 mt-30 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.1 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.771 0.319 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.471 HG21 HG11 ' A' ' 62' ' ' VAL . 48.3 mm -115.21 133.9 60.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -108.38 114.5 28.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.594 HG22 HG23 ' A' ' 62' ' ' VAL . 89.6 t -50.12 116.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -36.18 141.86 0.33 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.854 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.1 Cg_endo -69.8 -38.89 7.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.252 . . . . 0.0 112.361 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -56.38 -31.83 64.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.5 t -68.16 134.92 91.43 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.542 0.687 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -51.31 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' ASN . 53.6 mt -45.77 -33.42 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' LEU . 60.3 p -37.25 -42.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.4 t -66.28 -44.4 83.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' LEU . 47.3 m-20 -54.26 126.71 54.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.601 0.715 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 130.74 19.81 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.36 -34.15 5.87 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.1 m -59.47 104.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.738 0.304 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -117.93 157.55 26.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.616 HG22 HD23 ' A' ' 88' ' ' LEU . 94.4 t -80.79 109.56 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.565 ' HB3' HD22 ' A' ' 87' ' ' LEU . 63.9 t80 -45.39 119.6 2.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.54 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 9.2 mt-10 48.59 -144.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -105.67 44.35 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -87.79 78.85 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -157.3 105.66 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.4 m -139.78 164.08 30.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.6 m -118.4 146.61 44.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.501 ' HB3' ' CD1' ' A' ' 150' ' ' TYR . 50.9 mt -118.29 146.23 44.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -134.71 144.82 47.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.517 ' OE1' ' CE2' ' A' ' 150' ' ' TYR . 11.5 pt20 -151.79 125.45 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.5 p -125.38 158.21 34.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -149.52 148.57 29.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.544 HG23 ' O ' ' A' ' 75' ' ' ILE . 8.7 tt -75.52 51.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -134.6 108.84 8.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 42.59 41.14 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 m120 48.0 54.56 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.407 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 2.8 t-20 -81.27 112.66 18.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 79' ' ' ASN . 5.1 m-20 -133.42 123.38 25.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -132.88 174.84 9.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -143.9 159.28 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.416 ' HB3' HD12 ' A' ' 70' ' ' LEU . 2.1 t80 -142.5 124.08 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 89.3 mt -113.45 135.64 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 75.1 mt -137.88 108.32 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -121.74 158.28 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' A' ' 63' ' ' TYR . 1.4 tt -115.89 108.0 15.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.616 HD23 HG22 ' A' ' 62' ' ' VAL . 29.2 mt -95.65 157.42 15.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.557 ' HG3' ' CE2' ' A' ' 95' ' ' PHE . 22.1 tt0 -137.89 130.32 29.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -98.22 169.32 9.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.5 p -63.85 -32.73 74.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 6.3 m-20 -81.35 49.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 92' ' ' ASN . 1.3 ppt_? 32.13 36.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.3 m-85 -115.02 120.34 39.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.793 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 49.8 m-85 -92.89 160.81 14.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.8 m -147.24 120.58 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 5.5 m -86.12 109.44 18.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 49.6 t-105 -87.14 112.63 22.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -110.04 127.72 55.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -136.6 116.46 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -132.1 176.77 8.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.38 -124.22 1.98 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -119.31 156.54 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.0 t -70.24 121.73 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.78 29.97 9.41 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -160.29 154.72 23.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.4 t -57.47 -39.49 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.21 -171.36 36.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -59.25 173.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.943 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 m -142.15 118.93 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -136.3 124.57 23.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.6 tt -124.02 134.94 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -125.7 133.9 51.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -108.71 130.48 55.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -122.83 130.44 52.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.1 p -71.31 -41.95 69.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -92.42 145.93 24.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.793 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 30.4 tp -69.5 -59.55 2.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -45.01 -54.49 6.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -45.85 -47.35 15.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.26 -49.63 74.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -51.4 -46.95 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -53.98 -43.42 69.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.02 -37.92 86.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -69.15 -56.36 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -61.99 -38.75 89.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -63.62 -58.48 6.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 16.6 tppt? -60.13 -45.6 92.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -61.6 -48.43 80.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 134' ' ' LYS . 18.1 ttt-85 -67.94 -29.81 68.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.14 -22.04 60.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.451 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 69.2 mmtt -99.3 -27.54 13.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 65.7 p -108.67 -1.73 19.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 130' ' ' ARG . 16.8 mtpp 50.13 36.86 13.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 4.5 m-80 -148.51 162.04 40.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -86.02 135.65 33.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -59.19 -34.0 71.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.74 -32.23 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.488 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 15.9 mt-10 -85.11 27.48 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -53.37 -24.76 13.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.3 -49.97 72.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' HIS . . . . . 0.488 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.8 p-80 -108.48 50.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -71.7 112.57 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.482 HG13 ' NE2' ' A' ' 146' ' ' HIS . 7.6 p -90.78 132.91 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 31.3 p -99.39 99.23 10.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . 0.482 ' NE2' HG13 ' A' ' 144' ' ' VAL . 54.0 m-70 -80.33 149.44 68.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.571 0.701 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 131.12 20.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 0.0 112.358 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 92.55 -40.52 2.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -71.85 175.43 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.517 ' CE2' ' OE1' ' A' ' 72' ' ' GLN . 12.2 m-85 -74.01 137.45 43.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.4 p -101.72 166.46 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 38.7 tp -105.78 108.84 20.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.55 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -111.78 178.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.811 ' O ' HG12 ' A' ' 155' ' ' VAL . 9.1 pt-20 -130.87 16.01 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.3 p 50.71 172.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' GLN . . . . . 0.679 ' H ' HG22 ' A' ' 155' ' ' VAL . 75.7 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 46' ' ' ILE . 50.4 mm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.798 0.332 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.49 HG21 ' OE1' ' A' ' 86' ' ' GLN . 26.8 mm -122.02 143.68 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -113.99 111.92 22.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' ASP . 99.9 t -44.05 117.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -34.98 141.98 0.26 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.676 0.751 . . . . 0.0 110.805 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.3 Cg_endo -69.83 -31.46 20.19 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.731 2.288 . . . . 0.0 112.29 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.6 p -59.28 -38.19 79.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.152 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 38.3 t -67.67 136.93 92.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -50.03 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.618 ' CD1' HD11 ' A' ' 112' ' ' ILE . 63.5 mt -43.19 -34.99 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.1 p -40.81 -48.58 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.6 m -59.22 -45.59 90.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -55.39 128.35 67.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.613 0.721 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 134.5 28.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.371 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.99 -33.72 6.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.58 HG21 ' HB3' ' A' ' 54' ' ' LEU . 95.7 m -66.68 93.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 111.133 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -109.33 178.28 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.406 HG23 HG22 ' A' ' 48' ' ' VAL . 41.1 t -95.49 108.94 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 29.9 t80 -53.9 99.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 5.3 mt-10 72.48 -145.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.436 ' OD2' HD11 ' A' ' 46' ' ' ILE . 9.2 t70 -113.33 40.05 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.402 ' HD1' ' CE1' ' A' ' 125' ' ' PHE . 15.2 m-85 -80.42 75.54 7.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.3 t30 -145.58 108.23 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.0 p -131.48 138.62 49.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.4 m -98.85 132.92 43.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.1 mt -117.6 134.11 55.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -112.87 155.97 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.431 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 6.6 tp60 -150.64 107.08 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.502 HG22 ' CG ' ' A' ' 80' ' ' ASN . 10.9 p -109.36 156.11 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -145.73 146.54 31.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 75' ' ' ILE . 8.4 tp -75.66 52.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -135.35 109.27 8.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 42.12 40.69 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.4 m120 46.02 54.96 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -94.86 118.66 32.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.502 ' CG ' HG22 ' A' ' 73' ' ' THR . 21.7 m-20 -123.14 137.48 54.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.446 ' CA ' HG23 ' A' ' 104' ' ' VAL . 62.3 mttt -126.7 172.09 10.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -140.93 171.29 14.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -160.35 117.81 2.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 27.7 mt -114.17 139.26 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.494 HG22 ' CD2' ' A' ' 125' ' ' PHE . 43.1 mt -137.79 109.71 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.49 ' OE1' HG21 ' A' ' 46' ' ' ILE . 13.3 mt-30 -118.49 149.7 40.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 63' ' ' TYR . 4.0 tt -103.3 108.08 19.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.5 mt -95.17 148.61 22.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.432 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 20.0 tt0 -131.74 115.71 16.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.17 168.33 18.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.3 t -75.77 -19.52 58.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.458 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 28.8 m-20 -91.15 43.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.2 mtt85 42.16 40.78 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.458 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 20.6 m-85 -132.02 116.3 16.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.981 ' CE2' HD13 ' A' ' 118' ' ' LEU . 16.0 m-85 -92.33 167.55 11.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 113' ' ' ASN . 63.3 m -147.46 122.1 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.5 m -88.76 106.55 18.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.505 ' CZ2' ' HB2' ' A' ' 100' ' ' ARG . 44.5 t-105 -86.43 120.76 28.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -123.08 108.62 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.505 ' HB2' ' CZ2' ' A' ' 98' ' ' TRP . 22.8 ttt180 -116.46 128.76 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.481 ' CH2' ' HB2' ' A' ' 111' ' ' LYS . 17.6 p90 -144.14 175.04 10.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.76 -153.68 24.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -82.94 128.87 34.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.471 HG23 ' C ' ' A' ' 80' ' ' ASN . 87.0 t -49.36 124.17 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.24 -41.13 2.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -102.04 143.82 31.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 89.7 t -43.84 -46.17 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.08 -144.38 33.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -83.93 155.74 22.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.3 p -126.59 131.03 51.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.481 ' HB2' ' CH2' ' A' ' 101' ' ' TRP . 28.1 tptt -136.89 121.99 19.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.618 HD11 ' CD1' ' A' ' 54' ' ' LEU . 15.3 tt -125.85 135.8 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.588 ' O ' HG23 ' A' ' 96' ' ' THR . 15.8 m120 -123.38 140.46 52.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -109.89 133.23 53.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -131.08 125.78 34.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.3 p -67.84 -39.78 83.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.6 mtp85 -90.72 170.34 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.981 HD13 ' CE2' ' A' ' 95' ' ' PHE . 21.7 tp -94.61 -49.42 5.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.413 ' C ' ' HE3' ' A' ' 123' ' ' LYS . 67.3 mt-10 -53.89 -60.07 3.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -41.52 -46.36 3.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.2 86.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -59.49 -44.53 93.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.413 ' HE3' ' C ' ' A' ' 119' ' ' GLU . 35.4 mttt -56.22 -42.35 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -48.5 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.551 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 1.6 t80 -54.28 -48.62 71.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.21 -57.82 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -39.53 -55.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.8 tppt? -52.23 -44.59 64.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 133' ' ' THR . 9.2 t80 -68.66 -62.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.42 ' N ' ' CD1' ' A' ' 129' ' ' PHE . 37.8 ttp85 -49.2 -24.57 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -85.21 -34.15 22.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -84.0 -18.95 35.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.477 HG21 ' CE2' ' A' ' 129' ' ' PHE . 68.3 p -115.59 -13.74 11.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 60.35 40.32 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.412 HD21 ' CG1' ' A' ' 144' ' ' VAL . 26.6 m-80 -154.63 145.45 22.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -72.0 135.17 46.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -55.19 -38.5 68.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.84 -41.0 79.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.59 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.1 mt-10 -89.09 36.6 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -60.35 -23.05 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -50.39 -52.01 41.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -90.7 36.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.598 ' CZ ' ' CB ' ' A' ' 152' ' ' LEU . 52.3 t80 -62.27 107.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.458 HG13 ' NE2' ' A' ' 146' ' ' HIS . 5.2 p -96.82 127.84 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 65.9 p -93.53 99.43 11.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . 0.458 ' NE2' HG13 ' A' ' 144' ' ' VAL . 70.5 m-70 -80.79 145.52 57.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.549 0.69 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 114.85 3.83 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.682 2.255 . . . . 0.0 112.373 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 115.38 -38.57 3.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -80.71 178.84 8.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.431 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 30.7 m-85 -75.03 149.94 39.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.5 p -108.01 164.7 12.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.598 ' CB ' ' CZ ' ' A' ' 143' ' ' PHE . 35.2 tp -106.78 108.69 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.595 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.88 172.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.802 ' O ' HG12 ' A' ' 155' ' ' VAL . 15.3 pt-20 -121.81 14.35 10.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.802 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.0 p 50.44 172.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' GLN . . . . . 0.686 ' H ' HG22 ' A' ' 155' ' ' VAL . 82.9 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.0 mm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.821 0.343 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.5 mm -120.17 139.26 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -113.32 122.97 49.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.459 HG11 ' HA ' ' A' ' 55' ' ' SER . 42.2 t -51.84 119.2 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -47.87 142.7 6.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.846 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.6 Cg_endo -69.71 -34.13 15.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.538 HG21 ' NE ' ' A' ' 100' ' ' ARG . 11.8 p -56.88 -39.7 74.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.5 t -66.11 137.35 95.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.619 0.723 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -50.88 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.638 2.225 . . . . 0.0 112.359 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.484 ' HB3' HG21 ' A' ' 60' ' ' THR . 73.8 mt -45.53 -34.84 3.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.459 ' HA ' HG11 ' A' ' 48' ' ' VAL . 6.3 t -39.45 -46.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.0 t -55.74 -47.55 76.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -56.46 130.66 76.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 141.18 44.68 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.351 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.38 -40.37 2.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.484 HG21 ' HB3' ' A' ' 54' ' ' LEU . 97.0 m -56.97 106.61 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.752 0.311 . . . . 0.0 111.134 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -123.32 158.58 30.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.546 HG22 HD23 ' A' ' 88' ' ' LEU . 94.1 t -74.06 102.65 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 76.4 t80 -36.96 124.36 0.89 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 18.4 mt-10 43.32 -146.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.06 41.58 1.45 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -83.05 70.46 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.2 t30 -146.94 100.49 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 p -121.1 141.19 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.9 m -101.59 135.57 42.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -120.71 140.71 51.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -119.25 151.75 37.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -150.1 106.4 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.3 p -115.34 155.42 27.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -148.86 148.21 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 75' ' ' ILE . 8.1 tt -75.55 51.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -134.85 108.82 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 42.44 40.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 m120 48.36 54.95 9.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.46 114.45 20.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.468 ' C ' HG23 ' A' ' 104' ' ' VAL . 9.0 m-20 -130.68 129.78 43.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.4 ' N ' HG23 ' A' ' 104' ' ' VAL . 35.8 mtmt -128.3 178.65 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -151.6 128.27 10.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -112.63 123.85 51.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.6 mt -118.32 131.14 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.0 mt -132.81 104.3 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -114.66 157.94 22.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.6 tt -120.68 103.55 9.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.546 HD23 HG22 ' A' ' 62' ' ' VAL . 13.4 mt -91.34 163.0 14.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -144.55 117.34 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.52 170.55 13.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.6 t -63.79 -26.02 68.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.57 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 3.3 m120 -85.47 47.3 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 31.98 36.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 22.0 m-85 -117.49 118.1 31.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 1.073 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 18.9 m-85 -91.94 165.04 13.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.829 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.412 HG21 HD11 ' A' ' 112' ' ' ILE . 68.6 m -150.03 120.91 7.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.64 104.51 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -86.62 116.73 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -116.33 132.18 56.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.538 ' NE ' HG21 ' A' ' 51' ' ' THR . 42.6 ttp85 -143.04 114.53 7.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 37.3 p90 -121.95 161.04 23.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 156.34 -173.99 34.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -69.57 136.7 51.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.468 HG23 ' C ' ' A' ' 80' ' ' ASN . 92.3 t -52.91 116.14 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 116.91 -39.46 2.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -91.42 170.03 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 100.0 t -71.23 -44.5 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.94 -157.87 41.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -81.1 169.47 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.6 p -130.43 125.32 34.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -137.92 113.93 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.412 HD11 HG21 ' A' ' 96' ' ' THR . 8.0 tt -116.65 136.28 54.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -125.94 125.12 42.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -98.38 139.27 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -135.08 134.5 40.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 19.8 p -80.31 -37.9 31.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.2 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -95.31 137.55 34.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.073 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 43.3 tp -60.55 -62.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -49.31 -42.56 41.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.48 -44.44 65.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.59 -42.09 74.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HE3' HD11 ' A' ' 118' ' ' LEU . 59.2 mttt -56.31 -46.21 79.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -53.35 -39.48 64.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.21 -50.05 15.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 5.3 t80 -53.12 -47.06 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -71.15 -53.15 15.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -43.15 -56.52 3.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.47 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -51.42 -45.88 62.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -62.84 -62.22 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 134' ' ' LYS . 13.9 ttt-85 -54.74 -29.93 55.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.16 -24.48 57.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.437 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 55.9 mmtt -99.84 -19.66 16.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 64.6 p -117.7 6.45 12.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 130' ' ' ARG . 23.8 mtpp 38.73 36.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -143.74 164.07 31.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -86.67 141.61 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -66.11 -36.4 83.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.17 -39.17 68.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.598 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.7 mt-10 -92.33 36.49 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -62.0 -17.5 57.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -56.8 -47.01 81.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -95.84 36.56 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 152' ' ' LEU . 51.3 t80 -53.42 115.86 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 142' ' ' HIS . 84.9 t -106.39 114.37 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.9 t -81.48 144.34 31.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -125.75 149.48 65.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 113.24 3.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 112.5 -38.75 3.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -77.82 178.3 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.437 ' CD2' ' HD2' ' A' ' 132' ' ' LYS . 16.1 m-85 -78.29 151.83 32.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 9.9 p -107.29 166.38 10.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 143' ' ' PHE . 35.3 tp -109.93 108.17 18.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.531 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -113.74 169.81 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.792 ' O ' HG12 ' A' ' 155' ' ' VAL . 14.0 pt-20 -118.83 12.14 12.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.792 HG12 ' O ' ' A' ' 154' ' ' GLU . 8.1 p 50.36 172.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' GLN . . . . . 0.682 ' H ' HG22 ' A' ' 155' ' ' VAL . 11.1 pt20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.7 mm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.815 0.34 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.516 HG21 HG11 ' A' ' 62' ' ' VAL . 11.2 mm -122.22 157.96 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 47' ' ' ARG . 3.0 mmm180 -136.53 129.2 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' ASP . 87.2 t -55.65 115.89 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 3.3 t70 -36.87 142.09 0.37 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.3 Cg_endo -69.77 -42.95 2.95 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 p -53.65 -28.45 33.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -73.75 135.51 77.82 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -51.39 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.705 ' HB3' HG21 ' A' ' 60' ' ' THR . 45.8 mt -41.79 -36.08 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.8 t -40.56 -45.05 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.8 m -59.65 -48.71 80.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -54.12 129.67 58.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 133.04 24.69 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.652 2.235 . . . . 0.0 112.406 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.24 -36.6 4.29 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.705 HG21 ' HB3' ' A' ' 54' ' ' LEU . 37.9 m -65.73 111.6 3.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.71 0.291 . . . . 0.0 111.114 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -131.08 161.01 33.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.516 HG11 HG21 ' A' ' 46' ' ' ILE . 59.2 t -71.65 111.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 55.6 t80 -51.73 130.37 28.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.575 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 10.3 mt-10 37.69 -143.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -107.23 42.19 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -84.65 71.11 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 11.2 p-10 -147.43 102.97 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.2 p -125.02 137.47 54.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.4 m -98.99 130.76 45.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.4 mt -117.03 141.84 47.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -119.59 159.15 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 5.2 tp60 -155.01 105.02 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.0 p -111.41 157.51 20.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -148.91 147.0 28.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.686 HG23 ' O ' ' A' ' 75' ' ' ILE . 3.0 tp -75.6 51.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -136.09 109.71 8.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.2 m120 42.56 40.51 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 47.75 54.99 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -83.04 114.45 21.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -125.56 127.01 45.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -123.45 176.44 6.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -151.11 132.12 14.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -118.25 120.01 36.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.951 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.8 mt -111.79 135.35 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.575 HG22 ' CD2' ' A' ' 125' ' ' PHE . 74.9 mt -138.53 106.27 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -121.11 146.99 46.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 tt -103.76 111.97 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.7 mt -97.92 152.73 18.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.439 ' HG3' ' CE2' ' A' ' 95' ' ' PHE . 24.9 tt0 -131.07 115.61 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.47 169.38 17.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.4 m -76.15 -19.45 58.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.547 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 17.9 m-20 -91.63 45.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.435 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 15.4 mtp180 39.54 43.14 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 20.4 m-85 -134.72 119.0 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.796 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 39.8 m-85 -91.59 166.2 12.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 113' ' ' ASN . 9.2 m -145.9 122.0 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 49.4 m -85.44 103.1 14.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -86.43 115.66 24.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -123.31 121.26 35.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -131.6 117.85 19.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 28.7 p90 -127.27 165.11 20.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 152.86 -157.45 27.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -83.57 136.23 34.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.375 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.2 t -53.42 126.1 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 104.37 -40.39 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.34 138.43 34.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.847 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.4 t -40.09 -39.81 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.27 -151.56 45.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -82.68 154.9 24.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.935 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 65.0 p -122.94 126.22 46.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -139.58 118.07 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.6 tt -121.34 140.84 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 96' ' ' THR . 4.3 m120 -128.53 139.81 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -114.31 129.29 56.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -124.38 135.51 53.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.9 p -75.61 -42.93 50.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -92.01 148.92 21.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.796 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 36.0 tp -72.91 -54.15 9.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -50.55 -44.06 56.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -56.4 -44.14 79.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.64 92.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.626 ' HE3' HD11 ' A' ' 118' ' ' LEU . 63.4 mttt -60.76 -45.42 94.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -57.52 -42.8 83.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.84 -55.78 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.575 ' CD2' HG22 ' A' ' 85' ' ' ILE . 1.6 t80 -51.99 -47.42 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.24 -57.8 4.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.4 OUTLIER -40.34 -54.16 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.455 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 15.2 tppt? -52.28 -52.49 52.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 130' ' ' ARG . 2.9 t80 -59.32 -59.36 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 134' ' ' LYS . 38.9 ttp85 -51.28 -32.08 23.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -77.67 -30.08 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -86.78 -21.64 26.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.441 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 32.6 p -116.59 -2.23 12.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 130' ' ' ARG . 34.6 mtpt 49.0 40.39 16.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -152.2 145.18 24.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -69.95 139.73 52.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -63.33 -36.85 85.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.29 -39.98 74.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.3 mt-10 -91.38 37.67 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -61.5 -19.87 62.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -53.99 -45.25 71.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -99.29 40.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.441 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 60.5 t80 -55.76 109.59 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 70.7 t -97.94 104.38 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.1 p -75.84 99.82 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -75.45 146.45 80.95 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.604 0.716 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 120.28 7.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.385 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 108.7 -41.41 2.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -74.03 -177.38 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.321 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 21.8 m-85 -72.62 175.73 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.3 p -130.15 163.82 25.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 51.3 tp -104.35 111.44 24.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.57 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -118.86 172.22 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.8 ' O ' HG12 ' A' ' 155' ' ' VAL . 14.8 pt-20 -120.75 17.05 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.8 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.5 p 50.37 172.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' GLN . . . . . 0.686 ' H ' HG22 ' A' ' 155' ' ' VAL . 46.7 mm-40 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.2 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.862 0.363 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.573 HG21 HG11 ' A' ' 62' ' ' VAL . 47.5 mm -121.56 136.83 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -112.93 130.42 56.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 58.7 t -62.24 111.92 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -35.89 141.62 0.32 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.1 Cg_endo -69.69 -43.24 2.84 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.737 2.291 . . . . 0.0 112.368 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.403 HG21 ' CZ ' ' A' ' 100' ' ' ARG . 29.5 p -54.53 -28.45 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.1 t -74.96 132.52 77.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -52.27 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.382 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.643 ' HB3' HG21 ' A' ' 60' ' ' THR . 88.5 mt -38.37 -33.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -43.67 -46.84 7.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -54.84 -47.97 73.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -57.34 126.57 74.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 135.94 31.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.83 -33.87 6.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.643 HG21 ' HB3' ' A' ' 54' ' ' LEU . 97.9 m -61.54 104.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 0.0 111.128 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -115.49 169.56 9.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.573 HG11 HG21 ' A' ' 46' ' ' ILE . 73.2 t -87.96 103.33 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 82.6 t80 -40.42 118.12 0.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 7.3 mt-10 50.52 -145.38 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -108.81 40.68 1.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -81.94 78.22 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.451 ' CG ' HD12 ' A' ' 46' ' ' ILE . 11.2 p-10 -153.8 97.17 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.1 p -124.88 136.81 54.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.3 m -95.26 136.45 35.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.7 mt -120.13 139.16 53.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -116.08 154.38 30.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -151.34 106.54 3.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.53 HG22 ' OD1' ' A' ' 80' ' ' ASN . 10.4 p -109.96 156.85 19.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.163 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -147.8 147.08 29.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.59 HG23 ' O ' ' A' ' 75' ' ' ILE . 9.0 tt -75.48 51.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -134.23 108.28 8.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 42.09 40.88 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 m120 46.11 53.64 9.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -90.8 117.32 29.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.53 ' OD1' HG22 ' A' ' 73' ' ' THR . 57.1 m-20 -123.69 135.99 54.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -122.95 174.28 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.466 ' HB3' HG22 ' A' ' 104' ' ' VAL . 7.9 p90 -148.62 129.9 14.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.536 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 2.9 t80 -116.21 124.74 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.2 mt -117.34 137.87 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.142 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.475 HG22 ' CD2' ' A' ' 125' ' ' PHE . 63.5 mt -139.2 108.93 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -124.49 153.95 41.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 63' ' ' TYR . 2.4 tt -112.77 116.06 29.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.45 ' CD2' HG22 ' A' ' 62' ' ' VAL . 35.5 mt -104.16 152.01 22.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 95' ' ' PHE . 28.5 tt0 -129.21 117.44 20.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -84.24 167.85 16.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 t -79.46 -2.42 41.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.57 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 35.9 m-20 -99.83 39.21 1.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.407 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 16.6 mtm180 45.57 32.75 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 15.5 m-85 -134.11 135.88 43.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 1.002 ' CE2' HD13 ' A' ' 118' ' ' LEU . 4.2 m-85 -105.35 167.46 9.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.546 HG21 HD11 ' A' ' 112' ' ' ILE . 23.2 m -144.58 120.88 10.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.161 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.38 106.75 16.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -86.33 125.27 33.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -125.11 126.53 45.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.403 ' CZ ' HG21 ' A' ' 51' ' ' THR . 55.2 ttt180 -131.0 120.67 23.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -140.92 169.37 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 143.74 -132.1 4.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -101.28 128.37 47.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.466 HG22 ' HB3' ' A' ' 82' ' ' PHE . 81.9 t -48.17 133.25 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 100.3 -42.3 1.99 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -96.3 175.49 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.38 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 85.5 t -74.71 -45.46 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.57 -140.48 22.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -83.8 170.09 14.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 61.0 p -134.64 122.94 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -139.19 118.35 12.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.546 HD11 HG21 ' A' ' 96' ' ' THR . 13.8 tt -124.03 138.18 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -131.07 122.26 26.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -95.59 142.56 27.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.404 ' CD1' ' OD1' ' A' ' 120' ' ' ASP . 96.2 m-85 -134.23 130.19 36.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 82.2 p -67.02 -44.53 80.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -91.39 154.94 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.002 HD13 ' CE2' ' A' ' 95' ' ' PHE . 27.7 tp -78.33 -54.55 6.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -49.16 -49.22 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.404 ' OD1' ' CD1' ' A' ' 115' ' ' PHE . 7.6 t70 -48.84 -43.47 38.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.41 -45.8 75.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -53.36 -42.87 67.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -60.15 -42.89 95.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.81 -45.79 81.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.475 ' CD2' HG22 ' A' ' 85' ' ' ILE . 5.0 t80 -58.35 -56.05 27.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -63.44 -51.18 66.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER -45.33 -56.79 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 16.0 tppt? -55.94 -57.82 10.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -46.3 -59.56 2.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 134' ' ' LYS . 31.7 ttt180 -59.68 -32.01 70.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -71.93 -23.34 61.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -97.66 -27.63 14.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 66.4 p -111.58 7.23 20.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 130' ' ' ARG . 18.2 mtpp 40.05 35.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 3.5 m-80 -142.1 167.32 22.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -91.54 144.2 25.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -71.16 -36.32 71.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.21 -32.75 74.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.453 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 38.0 mt-10 -87.41 26.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 21.2 ptt-85 -50.11 -23.62 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -56.84 -49.75 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' HIS . . . . . 0.453 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.7 p-80 -111.81 44.49 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.468 ' CE1' ' HB3' ' A' ' 152' ' ' LEU . 31.5 t80 -54.59 105.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 87.9 t -75.24 132.2 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 80.2 p -107.55 105.27 15.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -82.36 147.85 57.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.807 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 113.8 3.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.367 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 108.65 -39.23 2.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -72.02 174.21 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.338 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.536 ' CE1' ' HB2' ' A' ' 83' ' ' TYR . 21.8 m-85 -68.2 141.26 56.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.1 p -101.6 166.25 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 143' ' ' PHE . 42.5 tp -108.71 108.17 18.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.544 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.13 173.61 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.558 ' O ' HG12 ' A' ' 155' ' ' VAL . 14.4 pt-20 -126.55 17.96 7.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.74 HG22 ' H ' ' A' ' 156' ' ' GLN . 1.1 p 44.54 -175.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' GLN . . . . . 0.74 ' H ' HG22 ' A' ' 155' ' ' VAL . 65.5 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.752 0.31 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.591 HG21 HG11 ' A' ' 62' ' ' VAL . 10.9 mm -121.64 155.68 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.43 ' N ' HG22 ' A' ' 46' ' ' ILE . 17.1 mmm180 -138.57 120.58 15.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 62' ' ' VAL . 63.6 t -47.66 118.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -46.87 143.07 4.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.844 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.6 Cg_endo -69.73 -35.94 11.81 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.463 HG21 ' NE ' ' A' ' 100' ' ' ARG . 18.9 p -55.39 -40.63 71.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 14.1 t -63.73 138.54 97.41 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.24 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.724 2.282 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.526 ' HB3' HG21 ' A' ' 60' ' ' THR . 83.9 mt -45.25 -36.34 3.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.22 -49.15 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 m -56.83 -42.66 80.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -60.41 125.17 81.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.58 0.705 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 135.61 30.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.11 -37.15 3.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.526 HG21 ' HB3' ' A' ' 54' ' ' LEU . 99.1 m -59.57 116.04 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.747 0.308 . . . . 0.0 111.157 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -122.96 166.69 14.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.591 HG11 HG21 ' A' ' 46' ' ' ILE . 90.8 t -85.99 102.41 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.578 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 65.0 t80 -40.15 125.69 2.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.578 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 5.9 mt-10 41.22 -143.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.28 46.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.445 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 42.9 m-85 -89.17 80.8 6.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -163.13 108.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.9 p -132.8 142.85 49.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.8 m -99.3 134.27 42.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -118.46 145.8 44.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -128.01 149.18 50.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -151.28 128.66 11.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.404 HG22 ' CG ' ' A' ' 80' ' ' ASN . 14.3 p -129.12 158.67 38.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -146.55 150.23 35.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 75' ' ' ILE . 6.7 tt -75.43 50.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -133.95 107.8 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 42.05 40.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.8 m120 45.61 55.0 7.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -87.83 115.48 25.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.407 ' C ' HG23 ' A' ' 104' ' ' VAL . 8.4 m-20 -127.77 132.17 49.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -125.28 178.9 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -147.64 137.13 22.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.425 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 0.6 OUTLIER -119.35 122.39 41.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.5 mt -117.58 136.69 53.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.497 HG22 ' CD2' ' A' ' 125' ' ' PHE . 81.1 mt -138.79 109.57 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -124.86 145.08 49.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 tt -108.19 113.9 27.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.1 mt -101.26 167.85 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -150.58 119.41 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 90' ' ' ASP . 24.4 p30 -90.36 168.17 12.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.0 m -69.93 -5.35 25.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.491 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 21.7 m-20 -94.33 37.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 39.1 37.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 21.9 m-85 -131.8 123.23 27.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.987 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 28.6 m-85 -94.07 155.44 17.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.73 HG21 HD11 ' A' ' 112' ' ' ILE . 25.9 m -132.3 137.13 47.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.14 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.1 m -100.03 102.5 13.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -86.46 115.02 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -122.13 116.76 24.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.463 ' NE ' HG21 ' A' ' 51' ' ' THR . 43.9 ttp85 -128.45 118.83 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -129.27 164.32 23.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.68 -168.38 33.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -70.43 137.07 50.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.407 HG23 ' C ' ' A' ' 80' ' ' ASN . 87.9 t -54.68 120.31 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.29 -40.2 2.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -90.34 174.87 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.9 t -74.55 -45.89 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.21 -170.01 53.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -67.32 166.77 13.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.1 p -131.39 120.58 23.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -134.87 124.14 24.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.73 HD11 HG21 ' A' ' 96' ' ' THR . 13.2 tt -125.73 145.33 33.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.665 ' O ' HG23 ' A' ' 96' ' ' THR . 4.6 m-80 -127.63 149.39 50.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -123.77 123.57 40.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -120.17 134.22 55.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 78.0 p -78.21 -25.71 47.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -106.54 139.94 40.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.987 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 23.8 tp -63.95 -49.79 71.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -49.5 -56.86 8.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -41.54 -44.61 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.95 -46.88 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -50.71 -47.73 59.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 124' ' ' ASP . 18.3 mttt -62.5 -69.42 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 123' ' ' LYS . 9.9 t0 -35.42 -48.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.497 ' CD2' HG22 ' A' ' 85' ' ' ILE . 3.3 t80 -60.21 -57.55 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -62.48 -62.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER -39.6 -53.17 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.468 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.9 tppt? -55.83 -49.85 72.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -58.51 -58.59 7.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 134' ' ' LYS . 8.1 ttt85 -54.75 -31.91 59.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.05 -27.99 64.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.575 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 67.9 mmtt -94.77 -23.65 17.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 134' ' ' LYS . 66.9 p -115.49 11.55 15.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 130' ' ' ARG . 9.9 mtpm? 34.2 40.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -146.48 152.96 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -81.52 135.48 35.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -58.97 -40.21 84.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.13 90.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.6 mt-10 -91.86 39.55 1.02 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -62.3 -21.71 65.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -52.12 -45.46 64.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -99.59 41.08 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 72.4 t80 -56.78 103.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 142' ' ' HIS . 80.0 t -93.29 105.02 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.5 t -79.19 152.88 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -126.15 152.27 73.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.557 0.694 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.62 4.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.656 2.237 . . . . 0.0 112.324 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 100.69 -32.8 6.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -71.93 -175.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.575 ' CE2' ' HD2' ' A' ' 132' ' ' LYS . 29.3 m-85 -81.99 130.92 35.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.3 p -96.71 166.49 11.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 52.5 tp -107.7 111.92 24.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.547 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -117.31 171.74 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.797 ' O ' HG12 ' A' ' 155' ' ' VAL . 9.6 pt-20 -121.13 16.64 11.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.797 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.5 p 50.41 172.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' GLN . . . . . 0.683 ' H ' HG22 ' A' ' 155' ' ' VAL . 9.1 pt20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.7 mm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.821 0.343 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.601 HG21 HG11 ' A' ' 62' ' ' VAL . 41.4 mm -115.49 138.29 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -112.32 130.48 55.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.556 HG22 HG23 ' A' ' 62' ' ' VAL . 65.5 t -59.88 114.59 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.446 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 2.3 t70 -37.32 142.28 0.4 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.655 0.741 . . . . 0.0 110.85 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.446 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.75 -51.31 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.748 2.299 . . . . 0.0 112.323 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.401 HG21 HG13 ' A' ' 107' ' ' VAL . 2.6 p -52.33 -31.34 32.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.0 t -58.25 133.87 84.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -32.21 18.9 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.68 ' HB3' HG21 ' A' ' 60' ' ' THR . 9.8 mt -85.19 24.06 1.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.974 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.486 ' HA ' HG11 ' A' ' 48' ' ' VAL . 50.4 p -85.09 -53.6 5.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 t -64.92 -38.61 91.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -53.45 122.93 34.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 130.62 19.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.284 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.54 -32.32 6.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.68 HG21 ' HB3' ' A' ' 54' ' ' LEU . 45.7 m -71.9 100.3 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 0.0 111.13 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -112.16 162.69 15.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.601 HG11 HG21 ' A' ' 46' ' ' ILE . 70.6 t -81.91 102.14 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.506 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 80.8 t80 -38.69 116.24 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.506 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 5.6 mt-10 47.42 -147.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -106.8 37.08 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.45 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 27.0 m-85 -81.58 73.85 8.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.567 HD22 HG23 ' A' ' 46' ' ' ILE . 5.8 t30 -154.0 109.57 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.9 p -132.94 139.29 47.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.2 m -95.09 134.23 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.3 mt -118.91 144.58 46.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -129.01 152.05 49.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.458 ' OE1' ' CE2' ' A' ' 150' ' ' TYR . 10.4 pt20 -153.0 128.34 9.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 p -130.49 156.34 44.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -144.76 150.96 38.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 75' ' ' ILE . 2.6 tp -75.55 52.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -135.84 109.33 7.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 8.3 m120 42.46 40.62 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 77' ' ' ASN . 0.6 OUTLIER 47.92 55.03 9.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.429 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 3.0 t-20 -81.04 112.9 18.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 79' ' ' ASN . 4.1 m-20 -133.29 125.78 30.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -129.62 177.37 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -144.62 139.4 28.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.506 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 1.3 t80 -119.53 135.03 54.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.0 mt -126.71 133.65 68.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.9 mt -136.64 110.97 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -127.85 146.22 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.498 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.4 tt -106.89 107.95 19.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.0 mt -92.81 161.98 14.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.513 ' HG2' ' CE2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -137.31 116.07 12.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -80.74 169.49 17.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 m -73.46 -15.36 61.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.511 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 11.1 m-20 -95.97 44.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 38.86 42.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 21.1 m-85 -131.47 122.77 26.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.926 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 14.8 m-85 -92.3 161.64 14.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.579 HG21 HD11 ' A' ' 112' ' ' ILE . 84.9 m -144.06 121.94 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.139 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.4 m -84.74 102.67 13.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -87.04 105.92 17.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -105.86 133.26 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -138.05 115.76 11.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.465 ' NE1' ' HB2' ' A' ' 109' ' ' GLN . 15.2 p90 -129.51 169.24 15.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.56 -126.81 2.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -116.4 152.34 34.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.2 t -67.0 115.31 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.96 25.51 7.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -153.9 170.76 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.401 HG13 HG21 ' A' ' 51' ' ' THR . 94.6 t -73.21 -40.89 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.44 -171.61 43.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.465 ' HB2' ' NE1' ' A' ' 101' ' ' TRP . 42.1 mm-40 -61.89 176.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 72.3 p -142.71 127.14 17.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -144.18 120.75 11.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.579 HD11 HG21 ' A' ' 96' ' ' THR . 6.4 tt -123.74 136.42 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -124.3 130.33 52.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -104.6 118.41 36.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -112.04 125.38 54.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.8 p -64.64 -44.57 90.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.162 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.9 mmt-85 -88.27 158.59 18.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.926 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 21.5 tp -81.66 -52.42 7.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -51.99 -51.06 59.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -46.89 -43.57 18.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.77 -45.36 78.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -56.87 -46.79 81.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -53.19 -43.12 66.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.83 -49.18 49.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.45 ' CE2' ' HB3' ' A' ' 66' ' ' TYR . 5.7 t80 -53.46 -42.22 66.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -80.6 -32.48 36.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.474 ' HZ2' ' HB3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -61.43 -53.0 62.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -60.96 -48.74 80.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -59.13 -52.05 67.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 134' ' ' LYS . 15.1 ttt-85 -65.32 -33.12 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -71.12 -25.75 62.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.583 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 29.6 mmtm -97.07 -25.08 15.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.512 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 69.6 p -110.99 6.73 21.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' ARG . 20.3 mtpp 39.02 36.99 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -143.65 161.12 39.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -91.11 129.95 37.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.5 t-105 -48.86 -38.4 22.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.73 79.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 15.4 mt-10 -92.0 38.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 -64.43 -18.78 65.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -55.81 -47.16 77.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -95.81 38.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 30.7 t80 -57.55 111.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 65.5 t -92.89 117.52 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.185 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.6 p -86.32 99.82 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -79.09 149.3 73.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.81 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 108.53 2.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 109.29 -36.02 4.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -66.22 -176.09 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.775 0.321 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.583 ' CE2' ' HD2' ' A' ' 132' ' ' LYS . 13.7 m-85 -82.38 133.11 35.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 23.8 p -95.26 166.33 11.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 0.9 OUTLIER -110.76 114.37 27.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.534 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -109.65 179.71 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.811 ' O ' HG12 ' A' ' 155' ' ' VAL . 14.5 pt-20 -128.25 10.99 6.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.7 p 50.68 172.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' GLN . . . . . 0.697 ' H ' HG22 ' A' ' 155' ' ' VAL . 13.2 pt20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.7 mm . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.813 0.339 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.826 HG21 HG11 ' A' ' 62' ' ' VAL . 39.4 mm -117.48 134.78 59.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -121.04 130.0 53.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.7 t -56.04 115.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.1 t70 -38.15 142.11 0.48 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.658 0.742 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.72 -43.46 2.68 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.3 p -51.74 -35.2 42.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.0 t -67.05 138.84 95.1 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -51.41 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.921 ' HB3' HG21 ' A' ' 60' ' ' THR . 95.1 mt -43.69 -35.64 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -40.51 -50.59 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.2 t -61.14 -46.96 88.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -53.03 128.7 47.96 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 132.66 23.87 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.24 -29.31 11.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.921 HG21 ' HB3' ' A' ' 54' ' ' LEU . 97.9 m -68.16 109.31 3.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 111.127 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -122.16 170.48 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.826 HG11 HG21 ' A' ' 46' ' ' ILE . 91.6 t -87.15 123.83 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 66.1 t80 -64.66 124.09 21.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.577 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 7.1 mt-10 44.17 -143.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -107.86 34.62 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -82.93 81.67 8.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.683 HD22 HG23 ' A' ' 46' ' ' ILE . 8.3 t30 -160.36 107.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.5 m -139.98 161.03 38.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.4 m -115.15 146.63 41.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 54.1 mt -123.15 135.56 54.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -118.91 151.25 38.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.431 ' HB3' ' CD2' ' A' ' 150' ' ' TYR . 1.6 pp0? -154.99 131.85 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.471 HG22 ' OD1' ' A' ' 80' ' ' ASN . 10.8 p -136.88 158.35 44.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -148.31 150.88 34.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.752 HG23 ' O ' ' A' ' 75' ' ' ILE . 9.9 tp -75.64 51.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -136.26 109.84 8.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 42.18 40.55 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.5 m120 44.59 54.94 6.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -86.84 115.09 24.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.471 ' OD1' HG22 ' A' ' 73' ' ' THR . 8.9 m-20 -129.63 133.83 47.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.433 ' N ' HG23 ' A' ' 104' ' ' VAL . 8.2 mtpm? -131.7 178.01 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -153.52 137.27 16.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -117.4 134.47 54.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.9 mt -124.55 132.73 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.456 HG22 ' CD2' ' A' ' 125' ' ' PHE . 84.8 mt -136.74 106.71 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -122.75 143.15 50.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.453 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.3 tt -102.37 111.09 23.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.8 mt -101.84 160.33 14.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.451 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 31.8 tp60 -135.83 116.9 14.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 94' ' ' PHE . 16.7 p30 -85.94 167.77 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.8 p -72.8 1.02 9.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.577 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 8.0 m-80 -99.0 34.35 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 44.69 26.56 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 15.7 m-85 -128.12 129.52 46.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.719 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 46.9 m-85 -91.5 160.87 15.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.455 HG21 HD11 ' A' ' 112' ' ' ILE . 23.2 m -138.34 122.77 18.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.157 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.0 m -85.72 104.13 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -86.79 111.1 20.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -112.04 129.01 56.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.2 ttp85 -135.47 118.34 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.2 p90 -129.55 164.05 24.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.86 -162.21 30.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -76.74 135.96 39.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 81' ' ' LYS . 97.5 t -54.53 120.91 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.88 -40.17 2.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -92.5 175.26 6.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.1 t -74.34 -46.29 44.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.67 -160.73 45.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.479 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -72.5 176.14 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 78.8 p -138.86 125.11 20.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -135.79 129.85 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.455 HD11 HG21 ' A' ' 96' ' ' THR . 11.3 tt -133.76 134.42 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -126.07 127.06 45.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -102.23 116.63 33.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -111.11 126.69 55.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.4 p -65.83 -43.85 87.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -89.59 152.84 21.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.719 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 31.5 tp -74.23 -53.39 9.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -50.57 -50.85 52.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.88 -49.44 10.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.26 85.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -55.1 -48.26 73.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -51.09 -42.89 60.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.11 -43.72 73.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.456 ' CD2' HG22 ' A' ' 85' ' ' ILE . 8.1 t80 -60.06 -45.97 91.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -74.25 -46.81 39.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -56.04 -54.95 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 15.8 tppt? -59.93 -54.22 48.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 130' ' ' ARG . 3.6 t80 -50.37 -60.66 2.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 134' ' ' LYS . 9.0 ttt-85 -59.82 -28.79 67.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.81 -22.15 61.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -101.2 -26.79 13.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.436 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 66.2 p -112.35 8.32 19.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 130' ' ' ARG . 22.3 mtpp 41.05 26.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 133' ' ' THR . 31.1 m-80 -132.0 146.13 51.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -77.31 133.47 38.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -56.16 -37.82 70.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.46 -42.03 65.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.8 mt-10 -90.37 35.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -59.85 -20.42 56.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -53.49 -47.74 69.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -95.95 35.26 1.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 25.7 t80 -57.97 108.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 5.8 p -90.77 126.37 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 95.4 p -95.62 100.99 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -83.38 149.62 58.49 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.528 0.68 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 120.64 7.4 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 101.19 -34.9 5.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.62 178.68 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.31 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 72' ' ' GLN . 38.9 m-85 -80.23 144.67 32.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 22.9 p -106.12 164.55 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.3 tt -107.79 116.33 31.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.569 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.17 174.11 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.839 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.801 ' O ' HG12 ' A' ' 155' ' ' VAL . 9.2 pt-20 -125.77 15.51 8.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.801 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.2 p 50.25 172.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' GLN . . . . . 0.688 ' H ' HG22 ' A' ' 155' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.0 mm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.842 0.353 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.481 HG21 HG11 ' A' ' 62' ' ' VAL . 19.6 mm -122.61 133.23 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.27 129.59 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.5 t -64.16 119.52 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -38.59 142.08 0.53 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.5 Cg_endo -69.81 -48.21 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.3 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.428 HG21 ' CZ ' ' A' ' 100' ' ' ARG . 32.6 p -49.15 -32.57 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.0 t -70.08 138.48 87.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.64 0.734 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -50.98 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.924 ' HB3' HG21 ' A' ' 60' ' ' THR . 93.4 mt -43.66 -35.47 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -41.16 -49.87 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 m -61.56 -46.42 89.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -54.97 128.18 64.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 139.54 40.67 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.42 -37.41 3.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.924 HG21 ' HB3' ' A' ' 54' ' ' LEU . 96.0 m -59.12 106.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 111.163 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -120.8 161.94 20.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.481 HG11 HG21 ' A' ' 46' ' ' ILE . 92.8 t -80.52 119.8 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.577 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 78.2 t80 -57.81 122.29 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.577 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.3 mt-10 47.53 -145.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 65' ' ' ASP . 20.2 t70 -104.32 39.73 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -81.45 69.67 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 13.9 p-10 -144.99 94.76 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.7 p -125.84 142.78 51.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.8 m -106.21 134.56 49.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -120.44 146.27 46.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -123.37 157.46 33.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.451 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 5.2 tp-100 -153.08 106.97 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.2 p -111.66 158.31 19.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -150.82 145.66 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 75' ' ' ILE . 7.5 tt -75.53 51.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -134.41 109.3 8.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m120 42.64 41.1 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 48.59 54.97 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -83.93 112.1 19.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.591 ' C ' HG23 ' A' ' 104' ' ' VAL . 1.6 m120 -128.51 122.07 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -119.3 178.86 4.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -149.87 129.05 12.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -112.89 135.87 53.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 78.0 mt -130.45 133.35 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.637 HG22 ' CE2' ' A' ' 125' ' ' PHE . 56.0 mt -134.09 105.31 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -120.65 146.65 46.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 tt -107.64 107.93 18.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.3 mt -95.0 167.17 11.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -149.42 124.95 10.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -92.4 169.35 10.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.3 t -59.4 -31.46 69.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.591 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 35.2 m-20 -82.42 46.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 33.16 34.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.4 m-85 -114.62 118.41 33.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.884 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 12.8 m-85 -92.89 167.59 11.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 113' ' ' ASN . 59.7 m -148.91 123.91 10.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.8 m -82.32 104.47 12.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -90.37 103.74 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -113.26 123.15 49.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.428 ' CZ ' HG21 ' A' ' 51' ' ' THR . 57.6 ttp85 -133.54 133.67 42.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -143.34 174.2 10.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.11 -160.52 27.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -75.95 131.63 39.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.591 HG23 ' C ' ' A' ' 80' ' ' ASN . 92.6 t -50.8 126.72 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 105.79 -39.8 2.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -93.1 170.72 9.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 79.5 t -69.61 -45.97 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.19 -166.32 54.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -71.63 145.06 49.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 54.1 p -115.54 129.63 56.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -133.91 114.66 13.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.8 tt -120.71 136.08 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 96' ' ' THR . 6.6 m120 -127.69 132.46 49.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -103.44 116.06 31.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -110.53 118.25 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 35.8 p -61.62 -39.1 90.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -92.74 156.17 17.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.884 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 30.9 tp -78.43 -63.35 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 120' ' ' ASP . 6.9 pt-20 -47.54 -41.87 22.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 119' ' ' GLU . 1.0 OUTLIER -50.66 -45.5 58.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.93 -35.86 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -60.13 -42.39 94.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -61.22 -44.13 97.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -42.47 73.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.637 ' CE2' HG22 ' A' ' 85' ' ' ILE . 3.8 t80 -63.25 -43.89 96.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -73.86 -48.43 31.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -52.85 -56.34 16.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -52.8 -48.39 66.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -59.08 -59.37 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 134' ' ' LYS . 18.3 ttt-85 -58.34 -30.21 66.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -73.01 -26.84 61.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.585 ' HD2' ' CD1' ' A' ' 150' ' ' TYR . 35.8 mmtt -95.07 -24.25 16.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.52 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 62.8 p -114.88 9.57 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' ARG . 18.0 mtpp 36.99 39.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.437 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 3.5 m-80 -144.74 160.07 41.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -89.2 133.94 34.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.7 t-105 -56.21 -39.67 72.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.04 -42.39 76.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.5 mt-10 -91.77 39.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -63.16 -20.74 65.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -53.26 -46.22 69.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -98.17 39.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 47.0 t80 -56.25 104.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 96.0 t -89.55 102.47 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.9 p -81.71 99.65 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -78.5 151.15 77.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.7 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 119.23 6.21 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.637 2.224 . . . . 0.0 112.35 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 109.24 -39.22 2.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.515 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -73.86 177.77 5.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.355 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.585 ' CD1' ' HD2' ' A' ' 132' ' ' LYS . 19.3 m-85 -70.72 158.11 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 15.4 p -115.98 166.49 11.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.193 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.0 OUTLIER -109.94 110.45 21.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.537 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.49 169.57 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.822 ' O ' HG12 ' A' ' 155' ' ' VAL . 13.3 pt-20 -117.85 13.82 14.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.822 HG12 ' O ' ' A' ' 154' ' ' GLU . 5.9 p 51.1 172.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' GLN . . . . . 0.694 ' H ' HG22 ' A' ' 155' ' ' VAL . 9.6 pt20 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.804 0.335 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.741 HG21 HG11 ' A' ' 62' ' ' VAL . 13.4 mm -123.38 133.91 67.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -110.3 121.52 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.7 t -50.1 123.67 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -47.86 141.51 7.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.536 0.684 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.0 Cg_endo -69.77 -41.8 3.95 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.737 2.292 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.475 HG21 ' CZ ' ' A' ' 100' ' ' ARG . 50.0 p -52.93 -34.84 57.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 37.4 t -71.56 137.04 83.29 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' LEU . 53.9 Cg_endo -69.78 -51.2 0.4 Allowed 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.662 2.241 . . . . 0.0 112.332 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.6 ' HB3' HG21 ' A' ' 60' ' ' THR . 97.0 mt -37.02 -38.6 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -41.29 -50.88 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -50.04 -44.8 51.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -62.16 128.54 91.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.98 61.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.36 -42.34 2.72 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.6 HG21 ' HB3' ' A' ' 54' ' ' LEU . 86.1 m -55.99 107.88 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 111.119 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -121.53 165.93 14.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.741 HG11 HG21 ' A' ' 46' ' ' ILE . 99.2 t -78.6 106.63 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 67.2 t80 -46.07 119.25 2.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.567 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 6.2 mt-10 51.06 -142.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -113.98 42.45 2.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 125' ' ' PHE . 42.2 m-85 -87.37 81.9 7.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -162.04 115.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.5 p -144.09 149.02 35.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.3 m -102.27 132.08 48.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.3 mt -114.99 140.0 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -115.5 148.42 39.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.474 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 48.1 tt0 -141.67 107.62 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 p -116.18 155.08 28.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -150.3 144.79 25.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 75' ' ' ILE . 7.3 tp -75.59 51.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -136.56 110.04 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 p30 42.65 40.43 2.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 47.76 54.99 9.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.454 ' ND2' ' HE2' ' A' ' 81' ' ' LYS . 11.0 t30 -84.5 112.31 20.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -128.85 141.03 51.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.454 ' HE2' ' ND2' ' A' ' 79' ' ' ASN . 35.5 mttm -143.46 170.11 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -139.2 142.22 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -127.88 132.79 49.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.954 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 79.7 mt -124.29 135.79 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.537 HG22 ' CD2' ' A' ' 125' ' ' PHE . 65.2 mt -135.48 110.94 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -128.52 147.72 50.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 63' ' ' TYR . 1.9 tt -109.27 111.13 22.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.458 ' CD2' HG22 ' A' ' 62' ' ' VAL . 25.5 mt -99.9 151.94 20.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.547 ' HB2' ' CE2' ' A' ' 95' ' ' PHE . 20.7 tt0 -125.92 139.62 53.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -109.51 168.55 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.0 p -71.71 -13.86 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.546 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 13.8 t-20 -93.63 39.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 41.5 25.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 17.1 m-85 -119.99 118.67 31.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.621 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 18.9 m-85 -91.96 167.26 12.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.709 HG21 HD11 ' A' ' 112' ' ' ILE . 24.3 m -142.13 124.37 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.2 m -87.75 103.46 15.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -86.06 123.49 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -121.66 133.69 54.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.475 ' CZ ' HG21 ' A' ' 51' ' ' THR . 31.7 ttt180 -135.66 124.33 23.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.495 ' CH2' ' HB2' ' A' ' 111' ' ' LYS . 17.9 p90 -140.59 169.25 18.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 152.9 -127.73 2.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -113.8 148.61 36.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.42 110.48 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.17 25.91 5.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -160.94 164.58 31.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.366 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 108' ' ' GLY . 0.5 OUTLIER -65.05 -40.19 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.458 ' O ' HG13 ' A' ' 107' ' ' VAL . . . 64.56 -155.48 47.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -77.27 174.23 10.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.9 p -147.94 135.33 20.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.495 ' HB2' ' CH2' ' A' ' 101' ' ' TRP . 0.3 OUTLIER -139.53 153.09 47.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.709 HD11 HG21 ' A' ' 96' ' ' THR . 12.6 tt -147.45 146.05 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -135.83 128.97 31.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -102.17 125.09 48.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -123.89 134.85 53.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 67.0 p -75.26 -42.55 54.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -88.6 149.04 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.621 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 24.7 tp -76.01 -50.38 15.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -54.05 -46.59 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -50.76 -47.02 59.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.99 97.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -60.66 -39.03 86.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 26.0 mtpp -59.54 -47.2 86.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.91 -44.7 63.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.537 ' CD2' HG22 ' A' ' 85' ' ' ILE . 1.8 t80 -58.65 -49.3 78.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -72.17 -55.32 7.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -40.88 -53.2 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 11.8 tppt? -53.86 -52.41 60.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -56.94 -53.57 56.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.0 ttp85 -61.17 -27.0 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -81.82 -28.67 33.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.587 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 35.2 mmtm -88.27 -27.49 21.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 43.5 p -109.32 -3.01 17.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt 49.96 41.08 22.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -153.68 141.52 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -66.27 137.48 56.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -60.93 -37.74 83.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.31 -42.46 88.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.588 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.4 mt-10 -87.77 36.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.7 ptt85 -59.29 -23.2 62.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -50.47 -48.1 56.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -97.17 38.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -58.36 104.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 87.0 t -87.92 130.55 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 89.3 p -98.65 100.05 11.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -76.29 149.81 82.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.631 2.22 . . . . 0.0 112.389 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 104.99 -36.74 4.2 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -64.03 -175.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.587 ' CE2' ' HD2' ' A' ' 132' ' ' LYS . 22.3 m-85 -81.35 141.75 33.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 8.9 p -105.6 166.51 10.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 39.7 tp -106.99 106.19 16.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.595 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -115.59 170.14 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.706 ' O ' HG12 ' A' ' 155' ' ' VAL . 9.8 pt-20 -123.21 20.27 9.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.792 HG22 ' H ' ' A' ' 156' ' ' GLN . 3.2 p 47.69 179.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' GLN . . . . . 0.792 ' H ' HG22 ' A' ' 155' ' ' VAL . 65.8 mt-30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.2 mm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.829 0.347 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.515 HD12 ' CG ' ' A' ' 67' ' ' ASN . 19.3 mm -126.25 141.99 44.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -123.47 112.78 17.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.49 HG22 HG23 ' A' ' 62' ' ' VAL . 98.3 t -42.99 122.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -39.76 143.78 0.55 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.572 0.701 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.74 -41.79 3.99 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.338 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 p -54.87 -36.17 64.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.5 t -63.28 136.74 96.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.625 0.726 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -51.18 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.768 2.312 . . . . 0.0 112.299 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.782 ' HB3' HG21 ' A' ' 60' ' ' THR . 49.1 mt -43.9 -35.94 2.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.1 t -40.99 -48.41 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 t -57.63 -45.91 84.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -58.09 127.76 80.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.58 33.24 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.382 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.04 -32.13 7.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.782 HG21 ' HB3' ' A' ' 54' ' ' LEU . 87.2 m -66.5 106.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.733 0.302 . . . . 0.0 111.138 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -117.52 175.52 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.49 HG23 HG22 ' A' ' 48' ' ' VAL . 93.4 t -93.11 112.81 26.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 69.6 t80 -49.18 123.22 6.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.577 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 8.9 mt-10 46.39 -142.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -109.36 40.19 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -85.86 84.76 7.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.515 ' CG ' HD12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -155.7 108.5 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.413 ' SG ' HD11 ' A' ' 152' ' ' LEU . 10.6 m -146.6 161.04 41.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -119.34 152.48 36.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.491 HD12 ' HB3' ' A' ' 83' ' ' TYR . 60.9 mt -122.34 144.92 48.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -132.4 155.29 48.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.4 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 7.9 tm0? -155.38 105.07 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.5 p -101.28 152.0 21.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -147.45 141.33 25.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.635 HG23 ' O ' ' A' ' 75' ' ' ILE . 2.5 tp -76.06 51.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -134.75 108.54 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m120 41.79 41.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 46.2 52.21 10.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -95.77 116.05 28.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.487 ' HB2' ' CG2' ' A' ' 104' ' ' VAL . 0.6 OUTLIER -130.69 141.6 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.415 ' N ' HG23 ' A' ' 104' ' ' VAL . 40.3 mtpt -132.94 169.76 16.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -148.06 171.44 15.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.491 ' HB3' HD12 ' A' ' 70' ' ' LEU . 2.2 t80 -150.48 130.08 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.473 HD12 ' HB3' ' A' ' 100' ' ' ARG . 31.5 mt -111.51 137.75 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.546 HG22 ' CD2' ' A' ' 125' ' ' PHE . 75.3 mt -140.65 108.88 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -129.18 153.47 47.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.561 HD22 ' CB ' ' A' ' 63' ' ' TYR . 1.7 tt -115.09 113.85 24.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.662 HD12 HD12 ' A' ' 54' ' ' LEU . 33.2 mt -100.88 159.55 15.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -138.06 125.71 22.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -92.9 170.55 9.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t -66.76 -30.94 71.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.584 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 6.7 m120 -84.24 47.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 92' ' ' ASN . 1.5 ptm85 36.14 34.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 22.8 m-85 -117.22 116.66 27.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.913 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 21.2 m-85 -92.73 166.63 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.498 HG21 HD11 ' A' ' 112' ' ' ILE . 62.6 m -148.36 123.44 10.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.3 m -82.0 102.13 10.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -88.81 110.17 20.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -113.83 140.67 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.823 ' NH1' HG22 ' A' ' 107' ' ' VAL . 11.5 ttm-85 -148.51 119.94 7.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 31.4 p90 -131.92 179.18 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.23 -148.81 20.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -91.06 138.22 31.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.487 ' CG2' ' HB2' ' A' ' 80' ' ' ASN . 93.1 t -61.31 92.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 142.42 -23.12 2.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -120.3 153.31 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.823 HG22 ' NH1' ' A' ' 100' ' ' ARG . 0.8 OUTLIER -43.16 -44.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.526 ' N ' ' CG1' ' A' ' 107' ' ' VAL . . . 84.34 -155.43 31.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -87.26 170.48 11.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 63.0 p -131.32 139.03 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -153.54 121.58 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.498 HD11 HG21 ' A' ' 96' ' ' THR . 12.2 tt -123.11 138.95 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -129.95 122.28 28.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -93.56 131.63 38.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -124.28 129.2 50.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 24.7 p -75.03 -24.63 58.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -105.67 144.23 32.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.913 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 25.7 tp -74.66 -50.63 16.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -51.33 -57.33 9.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.69 -48.13 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.5 -47.24 86.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -57.22 -46.03 83.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -57.6 -46.94 83.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.53 -55.68 16.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.546 ' CD2' HG22 ' A' ' 85' ' ' ILE . 4.8 t80 -48.43 -43.57 34.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -79.03 -35.01 43.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.1 OUTLIER -60.43 -53.2 60.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.6 tppt? -60.52 -52.28 65.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -57.97 -59.04 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.2 ttp85 -50.99 -27.28 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -87.03 -32.75 19.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -82.47 -15.12 53.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 44.6 p -124.49 -4.17 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 49.66 42.86 23.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -155.74 141.31 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -65.75 135.72 55.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -60.07 -38.47 82.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.21 -39.8 86.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.054 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.604 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 13.5 mt-10 -89.53 36.9 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.571 HH12 HD21 ' A' ' 152' ' ' LEU . 3.2 ptm85 -59.98 -24.58 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -49.67 -48.31 49.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -97.03 40.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 61.4 t80 -59.65 104.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 79.7 t -95.92 116.96 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 66.9 p -85.61 99.57 11.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -73.62 151.44 89.24 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.54 0.686 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.71 13.59 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 99.37 -38.52 3.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -72.92 -177.86 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.4 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 41.5 m-85 -80.9 163.89 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.0 p -115.24 166.37 11.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.571 HD21 HH12 ' A' ' 140' ' ' ARG . 37.1 tp -107.12 108.24 19.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.617 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -110.88 175.29 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.785 ' O ' HG12 ' A' ' 155' ' ' VAL . 10.4 pt-20 -126.02 14.91 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.785 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.8 p 50.52 172.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' GLN . . . . . 0.691 ' H ' HG22 ' A' ' 155' ' ' VAL . 18.8 pt20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.0 mm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.755 0.312 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.705 HG21 HG11 ' A' ' 62' ' ' VAL . 42.9 mm -114.94 132.29 64.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -105.27 135.4 46.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' ASP . 49.5 t -65.56 112.4 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' VAL . 3.5 t70 -34.22 141.86 0.23 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.75 -42.41 3.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -52.61 -35.27 54.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.1 t -68.14 138.04 92.05 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -49.3 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.337 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.877 ' HB3' HG21 ' A' ' 60' ' ' THR . 82.1 mt -43.49 -35.9 1.82 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 54' ' ' LEU . 12.9 t -37.28 -57.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.9 m -52.08 -46.5 65.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -58.17 126.66 78.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 143.07 49.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.621 2.214 . . . . 0.0 112.373 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.77 -43.21 1.99 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.877 HG21 ' HB3' ' A' ' 54' ' ' LEU . 87.1 m -59.62 101.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 0.0 111.189 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.461 ' NE2' ' H ' ' A' ' 61' ' ' GLN . 0.2 OUTLIER -116.94 170.03 8.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.705 HG11 HG21 ' A' ' 46' ' ' ILE . 75.6 t -82.37 102.26 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 87.4 t80 -42.91 112.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.564 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 6.1 mt-10 57.28 -145.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.24 40.01 2.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.432 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 28.5 m-85 -81.42 76.21 8.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.938 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 6.5 p-10 -151.42 112.13 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.7 p -137.21 137.9 39.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.1 m -99.05 134.81 41.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -119.71 143.79 47.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -119.85 151.26 39.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.471 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 16.2 tt0 -145.53 108.05 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.538 HG22 ' CG ' ' A' ' 80' ' ' ASN . 10.0 p -110.82 156.92 20.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -148.23 145.94 28.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.684 HG23 ' O ' ' A' ' 75' ' ' ILE . 3.5 tp -75.49 52.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -135.18 109.01 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.6 m120 42.19 40.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 34.2 m120 45.99 55.02 7.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -94.17 118.35 31.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.538 ' CG ' HG22 ' A' ' 73' ' ' THR . 32.1 m-20 -124.57 136.96 54.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -125.85 174.27 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -144.39 164.86 29.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -148.11 127.79 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.7 mt -120.3 135.35 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.187 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.533 HG22 ' CE2' ' A' ' 125' ' ' PHE . 80.3 mt -136.87 105.11 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.109 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -119.24 151.23 38.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 63' ' ' TYR . 1.8 tt -111.58 106.59 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.4 mt -96.02 151.84 19.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.483 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 40.7 tt0 -130.18 130.47 44.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -97.27 170.2 9.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.2 t -68.17 -31.4 70.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.553 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 21.5 m-80 -82.8 47.3 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.8 ptt-85 35.67 38.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 23.5 m-85 -124.55 117.55 24.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.595 ' CE2' HD13 ' A' ' 118' ' ' LEU . 16.7 m-85 -93.05 167.16 11.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.732 HG21 HD11 ' A' ' 112' ' ' ILE . 57.0 m -146.37 119.95 9.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.3 m -83.91 104.19 13.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 50.2 t-105 -89.22 109.44 20.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -106.09 136.73 45.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.1 ttp85 -140.87 124.7 17.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 16.2 p90 -144.92 172.71 12.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.42 -137.05 6.81 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -100.77 131.59 46.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.7 t -48.13 130.81 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 100.74 -44.19 1.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -90.8 176.01 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.7 t -79.21 -41.16 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.71 -149.55 43.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -79.52 162.13 25.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.9 p -134.46 119.45 18.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.58 127.22 38.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.732 HD11 HG21 ' A' ' 96' ' ' THR . 14.3 tt -122.6 144.72 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -131.21 119.5 21.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -94.8 124.47 38.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.57 ' CD1' ' OD1' ' A' ' 120' ' ' ASP . 75.8 m-85 -118.37 146.92 44.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.2 p -87.83 -36.14 17.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -98.42 166.42 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.595 HD13 ' CE2' ' A' ' 95' ' ' PHE . 15.3 tp -87.72 -53.91 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -53.31 -51.32 62.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.57 ' OD1' ' CD1' ' A' ' 115' ' ' PHE . 0.4 OUTLIER -43.76 -48.59 8.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.491 ' N ' ' OD1' ' A' ' 120' ' ' ASP . . . -62.95 -49.55 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -52.89 -43.21 66.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -53.6 -43.46 68.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.93 -44.83 46.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.533 ' CE2' HG22 ' A' ' 85' ' ' ILE . 7.1 t80 -56.08 -42.48 76.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -79.37 -36.51 39.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 1.2 tmmm? -62.52 -55.19 29.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 11.9 tppt? -56.11 -44.46 79.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.86 -51.84 65.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 135' ' ' ASN . 15.1 ttt-85 -65.84 -27.78 68.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -74.81 -28.06 60.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -94.76 -18.84 20.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 134' ' ' LYS . 43.0 p -120.8 10.74 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.182 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 133' ' ' THR . 47.6 mtpt 34.6 37.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' A' ' 130' ' ' ARG . 16.5 m-80 -138.95 164.99 28.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -96.44 132.18 42.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -53.96 -39.08 65.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.87 -43.25 79.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.583 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.1 mt-10 -91.97 39.53 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -63.43 -19.87 65.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.73 -50.83 67.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -92.27 36.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 32.6 t80 -58.16 118.5 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 71.5 t -99.82 130.06 49.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.3 p -98.9 103.45 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -79.15 150.92 75.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 108.78 2.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 107.38 -36.51 4.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.474 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -64.9 -179.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.471 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 20.4 m-85 -80.12 137.23 36.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 19.0 p -99.23 166.52 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.3 tt -109.04 116.53 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.543 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -120.35 172.87 6.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.598 ' O ' HG12 ' A' ' 155' ' ' VAL . 13.3 pt-20 -124.96 22.11 8.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.781 HG22 ' H ' ' A' ' 156' ' ' GLN . 1.4 p 45.21 -176.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' GLN . . . . . 0.781 ' H ' HG22 ' A' ' 155' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 46' ' ' ILE . 45.6 mm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.777 0.323 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.661 HG21 HG11 ' A' ' 62' ' ' VAL . 38.6 mm -128.42 138.36 54.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 mmm-85 -113.49 128.8 56.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.05 120.36 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -39.95 142.39 0.69 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.603 0.716 . . . . 0.0 110.873 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.3 Cg_endo -69.7 -33.46 16.79 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.9 p -60.06 -38.01 81.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.151 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.7 t -66.43 138.37 95.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.574 ' HB3' HG21 ' A' ' 60' ' ' THR . 69.7 mt -43.93 -35.1 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 t -38.79 -50.67 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.3 m -58.97 -46.53 87.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -53.07 124.9 39.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 131.61 21.66 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.5 -37.69 3.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.574 HG21 ' HB3' ' A' ' 54' ' ' LEU . 87.0 m -65.15 107.83 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 111.12 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -123.84 154.58 39.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.661 HG11 HG21 ' A' ' 46' ' ' ILE . 84.0 t -68.82 110.84 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.572 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 74.0 t80 -49.5 122.25 6.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.572 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 7.9 mt-10 46.93 -143.65 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.66 40.13 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -83.23 78.1 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.437 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 5.1 t30 -153.94 102.11 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.4 p -124.57 148.02 48.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.5 m -108.43 134.43 51.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.439 ' HB3' ' CD1' ' A' ' 150' ' ' TYR . 23.3 mt -121.83 132.27 54.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -112.29 151.12 30.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -152.24 107.47 3.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.405 HG22 ' CG ' ' A' ' 80' ' ' ASN . 5.7 p -117.22 157.34 26.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -141.33 159.0 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.708 HG23 ' O ' ' A' ' 75' ' ' ILE . 17.4 tt -83.73 53.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -140.01 111.22 7.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.4 m120 42.89 40.48 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.0 t30 48.02 54.96 9.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.09 114.87 21.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.535 ' O ' HG23 ' A' ' 104' ' ' VAL . 2.9 m-20 -129.56 125.26 35.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -116.04 176.89 4.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -152.77 126.26 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -112.61 136.49 52.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.8 mt -129.35 133.58 65.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.423 HG22 ' CD2' ' A' ' 125' ' ' PHE . 71.6 mt -136.36 108.89 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -125.53 154.41 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.2 tt -113.24 109.41 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.1 mt -94.85 163.29 13.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.594 ' OE1' ' CE2' ' A' ' 95' ' ' PHE . 4.5 tp60 -138.5 118.92 13.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -89.08 167.23 13.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -64.08 -29.13 70.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.59 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 44.1 m-20 -85.64 49.28 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 31.59 37.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.3 m-85 -118.77 119.65 35.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.611 ' CE2' HD13 ' A' ' 118' ' ' LEU . 21.8 m-85 -91.8 161.06 15.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.667 HG21 HD11 ' A' ' 112' ' ' ILE . 97.2 m -143.19 124.86 14.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 18.9 m -87.13 101.48 13.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -87.47 115.75 25.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -120.57 118.55 30.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.5 ttp85 -121.18 125.04 46.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 15.4 p90 -142.13 171.31 14.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.91 -135.6 5.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -103.26 129.0 50.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 80' ' ' ASN . 83.9 t -47.08 136.95 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 96.27 -43.68 2.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -95.27 168.51 10.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.889 0.376 . . . . 0.0 110.825 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 84.7 t -67.14 -44.89 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.03 -149.24 35.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -80.8 169.36 17.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 88.7 p -142.72 120.39 11.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.52 119.73 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.667 HD11 HG21 ' A' ' 96' ' ' THR . 14.4 tt -120.76 138.83 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.162 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.501 ' O ' HG23 ' A' ' 96' ' ' THR . 19.9 m-80 -129.59 139.07 51.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -110.1 121.55 45.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -115.21 122.84 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.5 p -65.16 -40.26 94.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -88.78 153.53 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.611 HD13 ' CE2' ' A' ' 95' ' ' PHE . 19.9 tp -79.98 -53.49 6.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 119' ' ' GLU . 15.2 mp0 -54.04 -49.87 68.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 120' ' ' ASP . 9.9 t0 -46.56 -46.6 19.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.15 -43.58 91.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.576 ' HE3' HD11 ' A' ' 118' ' ' LEU . 56.9 mttt -57.71 -44.31 85.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 20.4 mtpt -55.03 -40.79 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 124' ' ' ASP . 13.8 t0 -71.15 -37.49 72.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.447 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 4.6 t80 -67.84 -42.99 80.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -79.58 -39.21 32.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -62.81 -56.99 12.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 13.5 tppt? -57.97 -45.26 87.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -62.54 -57.99 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 134' ' ' LYS . 19.5 ttp180 -59.92 -29.16 68.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -77.88 -30.46 50.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.437 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 36.3 mmtm -84.47 -24.79 29.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 60.0 p -113.16 -6.01 13.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 130' ' ' ARG . 28.2 mtpt 54.47 35.82 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.891 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -144.21 169.53 17.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -88.24 146.0 25.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -72.29 -38.28 68.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.39 69.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 23.8 mt-10 -88.71 28.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -56.44 -24.97 48.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -48.34 80.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' HIS . . . . . 0.551 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.7 p-80 -110.62 37.23 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 6.3 t80 -48.72 126.1 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 82.9 t -96.82 139.7 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 17.7 t -112.45 148.02 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -126.73 150.03 70.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.523 0.678 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 110.2 2.48 Favored 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.701 2.268 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 112.05 -36.68 4.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -77.87 -174.93 3.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.318 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.439 ' CD1' ' HB3' ' A' ' 70' ' ' LEU . 11.6 m-85 -76.01 161.11 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.0 p -123.28 157.7 32.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -97.52 108.37 21.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.617 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -116.54 171.92 5.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.795 ' O ' HG12 ' A' ' 155' ' ' VAL . 10.5 pt-20 -119.45 15.07 12.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.795 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.1 p 50.39 173.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' GLN . . . . . 0.694 ' H ' HG22 ' A' ' 155' ' ' VAL . 16.8 pt20 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 46' ' ' ILE . 19.6 mm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.787 0.327 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.548 HD12 ' ND2' ' A' ' 67' ' ' ASN . 12.8 mm -129.68 137.55 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 mmt-85 -108.0 116.28 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.533 HG22 HG23 ' A' ' 62' ' ' VAL . 71.9 t -46.37 114.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -34.83 142.67 0.24 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.723 . . . . 0.0 110.828 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.9 Cg_endo -69.78 -45.11 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.0 p -54.69 -25.3 26.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.556 ' HA ' ' CH2' ' A' ' 98' ' ' TRP . 1.2 t -75.0 132.53 76.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.703 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.41 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.622 ' HB3' HG21 ' A' ' 60' ' ' THR . 90.7 mt -44.71 -25.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.1 p -48.33 -48.62 36.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.9 p -55.12 -45.54 75.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -55.48 124.89 57.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 131.49 21.31 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.66 2.24 . . . . 0.0 112.298 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.3 -36.61 4.29 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.622 HG21 ' HB3' ' A' ' 54' ' ' LEU . 38.9 m -60.24 97.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 111.134 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -110.78 144.03 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.533 HG23 HG22 ' A' ' 48' ' ' VAL . 61.4 t -61.8 102.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.573 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 57.8 t80 -35.26 131.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.573 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 16.1 mt-10 34.37 -144.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -108.76 37.95 2.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -82.55 77.29 9.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.548 ' ND2' HD12 ' A' ' 46' ' ' ILE . 18.5 p-10 -149.82 107.05 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.4 p -131.31 142.22 50.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.7 m -103.08 133.44 48.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 mt -118.18 145.11 45.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -123.56 154.26 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -147.46 110.13 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.414 HG22 ' OD1' ' A' ' 80' ' ' ASN . 10.3 p -111.91 157.49 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -149.91 146.44 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.691 HG23 ' O ' ' A' ' 75' ' ' ILE . 2.6 tp -75.65 52.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -135.3 109.58 8.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 3.4 m120 41.99 40.67 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 77' ' ' ASN . 1.3 p-10 45.91 53.18 9.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -92.23 116.56 29.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.414 ' OD1' HG22 ' A' ' 73' ' ' THR . 47.1 m-20 -120.72 143.04 48.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -130.87 170.41 14.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -150.27 134.71 17.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.539 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 2.0 t80 -116.74 128.31 55.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.8 mt -112.87 142.91 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.605 HG22 ' CE2' ' A' ' 125' ' ' PHE . 62.8 mt -143.48 115.75 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -137.28 143.81 42.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.5 tt -105.0 112.06 25.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.432 HD12 HD12 ' A' ' 54' ' ' LEU . 36.1 mt -94.27 163.46 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -144.28 125.11 14.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -98.09 167.48 10.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 t -65.04 -23.49 67.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.588 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 11.4 m120 -86.9 46.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 31.6 36.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.588 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.1 m-85 -119.68 116.64 26.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.804 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 42.4 m-85 -91.4 162.16 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.4 m -144.72 126.57 15.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.9 m -82.14 105.85 13.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.556 ' CH2' ' HA ' ' A' ' 52' ' ' CYS . 58.3 t-105 -86.08 108.73 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -113.42 140.59 47.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 107' ' ' VAL . 19.0 ttm-85 -149.5 136.37 19.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 18.2 p90 -148.89 171.06 16.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.07 -154.65 25.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -92.45 137.32 32.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.1 t -55.78 135.21 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.48 -41.58 2.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -98.33 154.1 18.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.449 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 52.6 t -48.68 -48.75 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.0 -151.93 32.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.447 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 12.7 mt-30 -90.61 178.94 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.7 p -150.31 145.03 25.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -151.74 121.48 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.3 tt -121.84 133.12 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -127.65 120.4 27.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -89.88 136.6 32.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -126.2 140.41 52.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.1 p -84.36 -24.87 29.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -105.63 148.24 27.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.804 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 28.0 tp -75.1 -55.01 6.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.415 ' H ' ' CD ' ' A' ' 119' ' ' GLU . 3.8 mp0 -49.18 -55.83 11.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -42.36 -46.34 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.98 -46.19 85.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -56.78 -44.36 81.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 19.1 mtpt -58.52 -47.74 83.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -64.03 -38.44 91.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.605 ' CE2' HG22 ' A' ' 85' ' ' ILE . 7.7 t80 -66.59 -62.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -58.98 -49.28 78.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -52.73 -54.53 32.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.0 tppt? -55.52 -49.84 71.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -56.42 -49.76 73.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 49.7 ttp85 -68.33 -29.63 68.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.03 -22.17 59.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.49 ' HD2' ' CE1' ' A' ' 150' ' ' TYR . 60.6 mmtt -102.08 -24.61 13.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.527 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 64.3 p -114.33 10.66 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 133' ' ' THR . 15.6 mtpp 35.22 39.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -145.57 158.2 43.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -88.85 131.41 35.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -52.35 -36.55 53.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.19 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.474 ' HB3' ' NE2' ' A' ' 142' ' ' HIS . 15.0 mt-10 -85.58 30.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -57.72 -11.43 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -62.99 -47.17 84.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' HIS . . . . . 0.516 ' O ' HG23 ' A' ' 144' ' ' VAL . 1.5 p80 -104.06 36.86 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.527 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 55.5 t80 -45.83 93.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 142' ' ' HIS . 56.9 t -80.1 102.62 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.0 p -83.69 116.42 22.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -89.26 150.28 44.56 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.622 0.725 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 114.79 3.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.746 2.297 . . . . 0.0 112.365 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 114.51 -39.28 2.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -74.89 -175.8 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.539 ' CE2' ' HB2' ' A' ' 83' ' ' TYR . 27.6 m-85 -74.51 162.67 28.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.3 p -120.69 161.72 20.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.094 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 38.3 tp -102.12 110.27 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.541 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -117.26 169.3 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.82 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.589 ' O ' HG12 ' A' ' 155' ' ' VAL . 14.5 pt-20 -122.66 19.49 10.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.802 HG22 ' H ' ' A' ' 156' ' ' GLN . 1.5 p 45.09 -175.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' GLN . . . . . 0.802 ' H ' HG22 ' A' ' 155' ' ' VAL . 76.0 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.7 mm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.794 0.331 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.56 HG21 HG11 ' A' ' 62' ' ' VAL . 13.6 mm -128.74 138.04 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.53 111.62 18.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.517 ' CG2' HG23 ' A' ' 62' ' ' VAL . 88.9 t -39.18 126.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.443 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.9 t70 -46.04 142.42 3.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.9 Cg_endo -69.77 -34.93 13.57 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.8 p -57.27 -35.99 70.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.8 t -66.86 139.42 95.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.22 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.625 2.217 . . . . 0.0 112.36 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.9 mt -46.6 -33.97 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.1 t -39.13 -45.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 t -58.48 -46.95 85.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -54.53 126.08 54.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.756 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.36 42.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.48 -38.84 2.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.7 m -56.82 113.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.699 0.285 . . . . 0.0 111.13 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -119.31 166.59 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.56 HG11 HG21 ' A' ' 46' ' ' ILE . 70.3 t -84.51 102.04 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.538 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 71.4 t80 -34.47 127.05 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.538 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 13.3 mt-10 35.24 -147.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -97.8 31.57 2.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -73.29 82.66 1.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.465 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.1 OUTLIER -159.92 88.91 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.3 p -115.73 142.2 47.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.435 ' O ' HD23 ' A' ' 70' ' ' LEU . 85.1 m -101.61 137.38 40.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 69' ' ' THR . 24.0 mt -124.16 130.72 53.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -111.14 152.08 27.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -149.32 105.24 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.519 HG22 ' CG ' ' A' ' 80' ' ' ASN . 13.0 p -107.08 157.94 17.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -146.95 145.93 29.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.632 HG23 ' O ' ' A' ' 75' ' ' ILE . 2.6 tp -75.5 52.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -135.57 109.64 8.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 42.07 40.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.3 m120 46.16 54.92 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -93.38 116.66 29.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.519 ' CG ' HG22 ' A' ' 73' ' ' THR . 36.4 m-20 -123.5 132.48 53.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -117.96 174.02 6.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -150.14 133.11 16.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 150' ' ' TYR . 0.5 OUTLIER -119.78 119.47 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.6 mt -111.58 131.06 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.508 HD13 ' HB3' ' A' ' 128' ' ' LYS . 86.9 mt -130.73 105.3 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -122.15 146.51 47.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.0 tt -106.23 116.73 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.3 mt -101.68 163.52 12.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.539 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 22.3 tt0 -148.29 125.0 11.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 94' ' ' PHE . 4.4 p30 -94.5 170.39 9.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 m -74.56 -3.83 33.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.545 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 3.2 m120 -95.49 37.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 mtp-105 40.97 34.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.545 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 20.4 m-85 -131.01 121.9 25.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.694 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 26.2 m-85 -93.57 161.96 14.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.702 HG21 HD11 ' A' ' 112' ' ' ILE . 89.0 m -144.27 118.76 9.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.168 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.5 m -84.65 105.13 15.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -86.99 126.71 34.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -122.82 124.93 44.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -132.3 108.96 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.466 ' NE1' ' HB2' ' A' ' 109' ' ' GLN . 26.7 p90 -123.1 161.97 23.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.28 -167.58 31.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -73.88 136.53 43.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.5 t -53.0 117.58 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 115.93 -39.38 2.75 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -92.16 173.61 7.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.7 t -75.24 -42.7 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.3 -165.77 50.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.466 ' HB2' ' NE1' ' A' ' 101' ' ' TRP . 24.1 mt-30 -70.8 158.71 35.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.0 p -120.93 119.05 31.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -135.71 122.32 20.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.702 HD11 HG21 ' A' ' 96' ' ' THR . 6.8 tt -124.28 150.34 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.438 ' O ' HG23 ' A' ' 96' ' ' THR . 11.0 m120 -139.39 132.62 29.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -112.37 122.76 48.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -115.27 136.59 52.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 29.9 p -76.85 -34.43 57.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -102.62 125.09 49.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.694 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 22.4 tp -47.77 -54.91 10.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -46.64 -62.16 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -40.83 -42.99 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.48 -44.11 92.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -58.47 -42.14 86.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 21.0 mtpp -55.9 -49.76 72.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -48.47 80.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.469 ' CE2' HG22 ' A' ' 85' ' ' ILE . 5.4 t80 -58.46 -61.14 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.31 -44.09 88.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -54.6 -54.9 35.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.508 ' HB3' HD13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -56.97 -54.07 50.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -52.92 -57.09 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 134' ' ' LYS . 11.8 ttt-85 -62.81 -31.24 72.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -73.42 -25.32 60.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -97.19 -17.85 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.563 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 43.5 p -124.53 13.19 8.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 130' ' ' ARG . 37.5 mtpt 34.14 36.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 133' ' ' THR . 41.7 m-80 -137.41 163.84 30.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -96.68 130.9 43.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -51.74 -41.85 61.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.62 83.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.547 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 14.5 mt-10 -97.08 35.78 1.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.1 ptt85 -61.43 -16.78 50.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -59.47 -51.02 71.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -91.42 34.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.768 ' CE2' HD23 ' A' ' 152' ' ' LEU . 7.6 t80 -56.84 118.23 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 2.6 p -98.88 120.53 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.3 p -89.92 101.01 13.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -82.57 149.84 61.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.552 0.691 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 123.57 10.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 103.1 -43.06 1.74 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.482 ' HZ3' ' HD2' ' A' ' 134' ' ' LYS . 2.9 mmmm -72.44 -174.9 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 83' ' ' TYR . 16.5 m-85 -73.2 176.09 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.2 p -135.76 157.07 47.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.768 HD23 ' CE2' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -95.58 114.03 25.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.657 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -125.38 174.19 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.581 ' O ' HG12 ' A' ' 155' ' ' VAL . 11.2 pt-20 -123.62 22.97 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.763 HG22 ' H ' ' A' ' 156' ' ' GLN . 1.4 p 44.85 -175.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' GLN . . . . . 0.763 ' H ' HG22 ' A' ' 155' ' ' VAL . 56.8 mt-30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.4 mm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.82 0.343 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 47' ' ' ARG . 23.9 mm -116.74 157.1 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.448 ' N ' HG22 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -136.75 118.0 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.499 HG12 ' OG ' ' A' ' 55' ' ' SER . 63.5 t -49.72 112.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -38.17 136.8 0.8 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.571 0.701 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -23.99 29.89 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.254 . . . . 0.0 112.35 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.528 HG21 ' NH1' ' A' ' 100' ' ' ARG . 46.3 p -69.94 -29.28 66.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.66 132.74 92.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.14 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.71 2.274 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.19 -10.76 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.499 ' OG ' HG12 ' A' ' 48' ' ' VAL . 45.5 m -61.59 -47.08 87.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.3 t -53.08 -42.29 65.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -57.95 130.86 83.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.594 0.712 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 130.61 19.73 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.57 -36.85 4.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.1 m -59.71 104.63 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 0.0 111.153 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -120.76 177.42 5.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.444 HG23 HG22 ' A' ' 48' ' ' VAL . 62.1 t -91.13 116.62 32.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 49.0 t80 -55.95 114.5 1.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 9.8 mt-10 54.84 -142.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -107.28 38.01 2.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -79.47 77.37 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -154.85 104.24 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.5 p -128.67 134.35 48.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.9 m -96.24 132.79 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.9 mt -117.85 142.94 46.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -119.07 157.08 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.406 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 8.2 tp-100 -155.39 110.42 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.417 HG22 HD22 ' A' ' 80' ' ' ASN . 2.7 p -124.14 152.92 42.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -141.19 159.18 42.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 75' ' ' ILE . 15.4 tt -82.49 53.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.57 111.69 7.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 m120 42.87 40.51 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 46.98 53.86 9.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -77.26 113.46 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.658 ' C ' HG23 ' A' ' 104' ' ' VAL . 1.1 m120 -122.9 120.84 34.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -118.39 179.14 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -157.91 131.43 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.579 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 1.7 t80 -118.4 123.17 44.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 79.5 mt -114.13 140.64 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.481 HG22 ' CD2' ' A' ' 125' ' ' PHE . 81.0 mt -142.67 109.0 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -124.38 156.7 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.545 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.9 tt -114.46 107.18 15.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 23.2 mt -93.11 154.24 18.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -132.12 117.88 18.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -85.58 170.08 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 m -65.3 -30.54 71.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.584 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 31.5 m-80 -83.4 46.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 92' ' ' ASN . 9.9 ptm180 35.04 34.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.0 m-85 -115.0 118.1 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.832 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 6.7 m-85 -90.82 156.61 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.501 HG21 HD11 ' A' ' 112' ' ' ILE . 51.9 m -143.95 118.54 9.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.94 105.85 14.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 27.3 t-105 -85.98 124.05 32.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -120.55 140.55 51.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.528 ' NH1' HG21 ' A' ' 51' ' ' THR . 37.9 ttt180 -148.28 111.71 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 33.7 p90 -130.44 165.27 22.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.33 -138.24 6.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -91.39 128.74 37.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.658 HG23 ' C ' ' A' ' 80' ' ' ASN . 64.8 t -49.96 124.27 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.47 -42.82 1.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -93.8 170.91 9.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.1 t -69.17 -39.19 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.03 -156.67 53.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.551 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -59.67 174.18 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.8 p -144.12 120.36 10.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.52 132.63 23.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.501 HD11 HG21 ' A' ' 96' ' ' THR . 7.6 tt -131.63 137.78 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.506 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 17.7 m-80 -123.54 120.65 33.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -102.01 116.87 33.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 113' ' ' ASN . 80.1 m-85 -109.44 128.59 55.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 16.8 p -69.66 -44.4 70.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -90.75 149.78 21.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.832 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 36.5 tp -68.18 -55.49 12.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -51.62 -46.96 63.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.01 -43.91 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . . . -65.62 -47.95 73.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -54.81 -42.79 72.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -56.53 -44.7 81.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -67.45 -48.88 65.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.481 ' CD2' HG22 ' A' ' 85' ' ' ILE . 5.0 t80 -57.59 -54.67 44.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.82 -50.73 71.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 2.4 tmmm? -48.07 -57.32 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.462 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -53.2 -56.04 19.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.961 179.807 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -50.61 -59.63 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 134' ' ' LYS . 37.9 ttt180 -58.81 -31.97 68.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -71.71 -28.99 64.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -95.56 -20.17 19.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.496 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 46.8 p -117.02 9.68 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 130' ' ' ARG . 37.1 mtpt 35.28 38.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 144' ' ' VAL . 3.4 m-80 -143.61 161.55 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -84.1 139.05 32.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -66.91 -33.99 76.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.16 -43.64 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.554 ' HB2' ' CE1' ' A' ' 142' ' ' HIS . 9.3 mt-10 -90.28 35.69 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -55.96 -12.89 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.8 -42.45 99.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' HIS . . . . . 0.618 ' O ' HG23 ' A' ' 144' ' ' VAL . 0.8 OUTLIER -102.08 39.18 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.496 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 60.9 t80 -49.56 92.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 142' ' ' HIS . 46.8 t -84.61 107.26 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 t -86.3 150.27 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -126.53 152.15 73.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.587 0.708 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 112.49 3.09 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.306 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 116.4 -31.23 6.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -85.17 -176.29 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.327 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 83' ' ' TYR . 20.2 m-85 -79.07 160.12 27.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.3 p -117.82 166.49 12.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 35.8 tp -106.35 113.47 27.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.562 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -119.43 173.87 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.578 ' O ' HG12 ' A' ' 155' ' ' VAL . 12.8 pt-20 -126.41 18.89 7.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.813 HG22 ' H ' ' A' ' 156' ' ' GLN . 1.5 p 44.9 -174.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' GLN . . . . . 0.813 ' H ' HG22 ' A' ' 155' ' ' VAL . 20.9 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.502 HG21 HH21 ' A' ' 47' ' ' ARG . 30.0 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.79 0.329 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.56 HG21 HG11 ' A' ' 62' ' ' VAL . 28.9 mm -118.65 144.78 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.502 HH21 HG21 ' A' ' 45' ' ' ILE . 26.1 mmt85 -130.74 112.49 13.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.414 HG22 HG23 ' A' ' 62' ' ' VAL . 86.1 t -43.01 116.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.446 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.1 t70 -40.99 142.64 0.82 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.583 0.706 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.446 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.4 Cg_endo -69.79 -44.86 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.5 p -55.01 -28.93 55.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.5 t -68.06 135.94 91.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.728 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.642 ' HB3' HG21 ' A' ' 60' ' ' THR . 88.9 mt -42.52 -36.94 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 p -41.29 -45.83 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.4 m -55.77 -47.1 77.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -58.36 127.1 80.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.53 28.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.75 -30.09 11.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.642 HG21 ' HB3' ' A' ' 54' ' ' LEU . 92.4 m -61.98 110.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 111.093 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -126.6 152.78 46.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.56 HG11 HG21 ' A' ' 46' ' ' ILE . 95.1 t -69.0 113.99 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 49.8 t80 -53.04 112.78 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.557 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 8.5 mt-10 58.81 -141.39 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -109.17 43.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -88.31 80.99 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -162.29 121.55 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.2 m -161.25 156.07 23.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.6 m -106.11 144.77 32.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.9 mt -121.86 142.11 50.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -124.73 144.42 50.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.481 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 6.2 tp60 -146.33 113.62 6.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.6 p -117.32 157.33 26.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -149.1 148.1 29.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 75' ' ' ILE . 6.9 tt -75.56 51.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.138 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -134.05 108.92 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 42.4 41.1 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 48.82 54.98 9.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.429 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 4.9 t-20 -82.64 112.41 19.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 79' ' ' ASN . 2.6 m-20 -131.64 123.88 28.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -132.77 172.06 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -139.6 151.63 46.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -133.59 129.94 37.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.507 HD12 ' HB3' ' A' ' 100' ' ' ARG . 14.5 mt -115.57 140.53 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.588 HG22 ' CD2' ' A' ' 125' ' ' PHE . 31.1 mt -142.47 109.42 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -130.14 145.31 51.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.51 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.7 tt -105.31 115.66 30.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.615 HD12 HD12 ' A' ' 54' ' ' LEU . 23.9 mt -106.07 161.61 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.495 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 3.5 tm0? -144.9 129.13 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -96.03 171.35 8.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 t -83.79 28.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -122.87 23.57 9.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 59.61 25.0 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -127.24 131.81 50.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.579 ' CE2' HD13 ' A' ' 118' ' ' LEU . 53.1 m-85 -101.12 154.16 18.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.7 m -134.08 127.49 32.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.14 111.28 21.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -89.69 119.67 30.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -122.13 149.39 43.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.58 ' NH1' HG12 ' A' ' 107' ' ' VAL . 14.6 ttm-85 -154.88 139.72 17.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 33.9 p90 -148.78 176.43 10.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.15 -166.57 27.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -76.64 137.65 39.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.918 0.389 . . . . 0.0 110.825 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.5 t -56.22 124.64 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.03 -42.32 1.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -94.54 168.33 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.58 HG12 ' NH1' ' A' ' 100' ' ' ARG . 22.6 t -67.9 -47.2 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.57 -150.36 36.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.427 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 9.2 mm100 -87.55 -176.22 5.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 79.7 p -155.42 144.52 20.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -150.56 145.29 25.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.4 tt -137.42 137.16 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.138 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -122.73 130.88 53.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -103.32 132.97 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -125.13 141.63 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 28.6 p -78.69 -40.25 34.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -96.57 148.0 23.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.579 HD13 ' CE2' ' A' ' 95' ' ' PHE . 15.6 tp -70.91 -52.29 20.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -51.18 -52.14 47.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -45.33 -43.95 11.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.49 -48.62 71.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -54.65 -43.94 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -55.67 -50.19 70.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.12 -44.67 96.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.588 ' CD2' HG22 ' A' ' 85' ' ' ILE . 3.9 t80 -59.92 -58.82 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -62.33 -39.41 92.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -56.26 -54.71 42.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 11.7 tppt? -58.22 -53.87 53.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -57.3 -64.8 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -52.51 -16.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 127' ' ' LYS . 7.7 mm-40 -91.02 -26.86 18.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.511 ' HD2' ' CD1' ' A' ' 150' ' ' TYR . 41.2 mmtt -95.73 -19.77 19.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.466 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 44.9 p -115.64 -6.95 12.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.403 ' CD ' ' HG3' ' A' ' 149' ' ' LYS . 56.3 mtpt 51.3 39.35 23.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -150.14 141.42 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -63.25 139.01 58.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -64.87 -33.81 76.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.25 -38.08 68.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.598 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.8 mt-10 -92.11 35.23 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.4 ptt85 -59.28 -20.93 58.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -53.2 -45.95 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -98.78 40.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.466 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 60.2 t80 -57.36 111.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.467 ' O ' ' CD2' ' A' ' 146' ' ' HIS . 89.9 t -98.28 109.9 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 84.5 p -79.28 99.46 7.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 144' ' ' VAL . 8.8 m-70 -81.89 142.66 48.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.584 0.707 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.23 4.0 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.242 . . . . 0.0 112.367 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 119.44 -39.03 2.62 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.403 ' HG3' ' CD ' ' A' ' 134' ' ' LYS . 20.9 mmmt -83.04 -179.25 7.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.511 ' CD1' ' HD2' ' A' ' 132' ' ' LYS . 30.2 m-85 -72.97 160.47 32.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 17.4 p -117.04 160.69 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.171 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 35.0 tp -103.51 107.26 18.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.654 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -110.43 168.67 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.833 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.796 ' O ' HG12 ' A' ' 155' ' ' VAL . 9.3 pt-20 -115.98 12.35 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.6 p 50.49 172.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' GLN . . . . . 0.69 ' H ' HG22 ' A' ' 155' ' ' VAL . 25.1 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.3 p -174.28 -179.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.873 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m 62.42 143.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.89 160.94 10.92 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -177.48 140.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 110.827 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 t 53.08 100.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.48 -106.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 52.51 173.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.313 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -109.73 111.01 22.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -65.23 117.88 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.426 ' HD3' ' N ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -84.15 148.84 26.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.426 ' N ' ' HD3' ' A' ' 44' ' ' ARG . 41.3 mm -118.35 140.53 41.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.681 HG21 HG11 ' A' ' 62' ' ' VAL . 41.2 mm -118.99 147.69 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -125.71 119.65 28.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.1 t -48.79 122.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 4.1 t70 -40.61 141.4 0.91 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.5 Cg_endo -69.75 -47.79 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.1 p -52.38 -26.72 13.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.5 t -73.59 138.92 77.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.28 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.63 ' HB3' HG21 ' A' ' 60' ' ' THR . 22.5 mt -46.67 -34.6 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.2 p -40.68 -48.28 2.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 t -62.55 -43.1 99.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -55.89 129.3 71.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.631 0.729 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.22 32.47 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.58 -32.24 7.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.63 HG21 ' HB3' ' A' ' 54' ' ' LEU . 98.0 m -63.65 109.61 1.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 0.0 111.155 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -123.04 166.84 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.681 HG11 HG21 ' A' ' 46' ' ' ILE . 80.5 t -83.53 106.25 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.581 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 82.9 t80 -44.51 119.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.581 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 15.3 mt-10 50.64 -144.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.23 30.61 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.562 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 30.7 m-85 -75.02 74.73 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.423 ' CG ' HD12 ' A' ' 46' ' ' ILE . 2.7 p30 -146.02 103.98 3.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.0 p -133.23 136.34 45.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.0 m -100.98 136.04 41.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.3 mt -119.78 142.14 48.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -118.75 160.19 22.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -153.43 107.82 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -110.31 150.27 28.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -146.24 142.33 28.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 75' ' ' ILE . 10.0 tt -75.73 51.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -133.65 107.78 8.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 41.86 40.94 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 46.73 54.55 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -98.37 119.49 37.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.404 ' HB2' ' CG2' ' A' ' 104' ' ' VAL . 0.8 OUTLIER -131.19 145.74 52.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CA ' HG23 ' A' ' 104' ' ' VAL . 30.1 mttm -132.35 158.13 42.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -131.33 135.04 46.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -118.44 125.07 49.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 79.9 mt -119.27 133.16 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.427 HG22 ' CD2' ' A' ' 125' ' ' PHE . 58.4 mt -133.15 102.94 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -120.36 147.79 44.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.3 tt -107.3 115.4 30.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.0 mt -103.06 163.42 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -147.27 125.9 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -95.09 168.9 10.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t -72.4 -1.47 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.476 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 3.3 m120 -99.89 37.14 1.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 40.39 39.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 21.3 m-85 -133.15 123.07 24.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.875 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 40.1 m-85 -91.75 160.34 15.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.45 HG21 HD11 ' A' ' 112' ' ' ILE . 17.8 m -142.29 122.09 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 34.1 m -85.63 106.31 16.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -86.54 113.26 22.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -118.75 119.12 33.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -126.25 133.07 51.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.4 p90 -141.38 172.79 12.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.5 -137.74 5.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -110.47 128.19 55.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.404 ' CG2' ' HB2' ' A' ' 80' ' ' ASN . 45.0 t -49.55 115.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.47 -34.97 4.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -103.13 174.17 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 66.3 t -69.09 -45.82 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.23 -161.68 53.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -79.64 -176.02 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.5 p -155.34 121.97 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -127.73 140.62 51.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.45 HD11 HG21 ' A' ' 96' ' ' THR . 9.1 tt -135.55 140.62 44.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 96' ' ' THR . 23.1 m120 -129.32 135.47 48.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -107.07 126.93 53.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -120.66 132.1 54.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.2 p -73.69 -39.84 64.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -93.6 146.94 23.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.875 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 34.1 tp -69.93 -61.9 1.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -45.67 -49.7 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -45.31 -49.31 12.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.67 93.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -56.69 -47.78 79.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -51.97 -39.14 58.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.41 -40.82 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 66' ' ' TYR . 5.3 t80 -62.82 -46.91 85.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -74.06 -49.95 21.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 127' ' ' LYS . 0.2 OUTLIER -50.68 -55.79 14.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 13.7 tppt? -57.86 -57.4 12.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -47.36 -58.18 4.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 134' ' ' LYS . 11.1 ttt85 -60.19 -30.78 69.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.25 -22.89 61.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -99.88 -24.69 14.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.448 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 70.6 p -111.67 4.44 18.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 130' ' ' ARG . 15.2 mtpp 42.19 33.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 5.6 m-80 -140.31 167.87 21.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -95.41 136.32 35.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -59.12 -36.55 75.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.74 -42.13 74.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.574 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 13.9 mt-10 -91.61 35.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -60.46 -16.1 33.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.5 -44.76 89.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -98.77 35.85 1.77 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 41.5 t80 -54.96 107.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 99.6 t -90.06 120.72 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.4 p -89.34 110.18 21.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -89.9 148.33 39.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 111.66 2.88 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 109.37 -36.54 4.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -68.66 -177.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -82.59 141.83 32.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 19.3 p -100.21 166.04 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.2 tt -110.4 114.94 28.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.559 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -116.24 169.98 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.796 ' O ' HG12 ' A' ' 155' ' ' VAL . 10.3 pt-20 -119.13 14.78 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.9 p 50.43 172.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.681 ' H ' HG22 ' A' ' 155' ' ' VAL . 34.2 mt-30 -128.66 126.78 40.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.067 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 36' ' ' SER . 40.1 t -158.03 140.57 14.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 110.851 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 35' ' ' SER . 1.4 m 77.99 -51.47 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.77 -154.03 25.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t 49.04 94.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.797 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -66.37 90.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -133.1 -71.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.47 132.17 47.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.733 0.301 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -77.18 119.78 21.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -95.81 125.08 40.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.478 ' O ' HD13 ' A' ' 45' ' ' ILE . 19.4 ttp180 -83.7 168.75 15.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.478 HD13 ' O ' ' A' ' 44' ' ' ARG . 31.1 mm -138.51 151.2 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.74 HG21 HG11 ' A' ' 62' ' ' VAL . 46.0 mm -122.71 138.34 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -112.59 121.39 44.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.48 HG22 HG23 ' A' ' 62' ' ' VAL . 67.0 t -52.14 110.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 2.4 t70 -35.28 142.03 0.27 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.0 Cg_endo -69.76 -41.07 4.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.498 HG21 ' CD ' ' A' ' 100' ' ' ARG . 37.0 p -51.26 -27.53 9.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.3 t -78.45 136.83 59.82 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.604 0.716 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -47.61 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.734 ' HB3' HG21 ' A' ' 60' ' ' THR . 41.2 mt -45.23 -36.38 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -39.83 -47.17 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.4 t -62.03 -44.02 97.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -57.33 127.96 77.81 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.98 20.21 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.219 . . . . 0.0 112.36 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.55 -36.54 4.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.734 HG21 ' HB3' ' A' ' 54' ' ' LEU . 93.3 m -64.12 109.61 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 111.164 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -126.51 154.1 44.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.74 HG11 HG21 ' A' ' 46' ' ' ILE . 90.8 t -66.97 105.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 59.4 t80 -47.87 115.47 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.558 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 13.1 mt-10 55.02 -146.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.1 34.22 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.4 ' HD1' ' CE1' ' A' ' 125' ' ' PHE . 23.3 m-85 -77.9 79.39 4.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.2 t30 -152.49 101.1 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.9 p -125.19 141.92 51.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.7 m -102.19 133.21 47.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.7 mt -115.86 146.04 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -130.67 148.33 52.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.545 ' OE1' ' CZ ' ' A' ' 150' ' ' TYR . 13.2 pt20 -150.59 124.52 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.5 p -124.85 155.49 39.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -144.84 148.9 34.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 75' ' ' ILE . 9.0 tt -75.53 50.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.85 108.61 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.3 p30 42.42 40.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 30.9 m120 48.08 54.98 9.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -81.51 112.38 18.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -132.66 127.32 34.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -129.92 178.85 6.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -145.32 135.58 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -119.63 123.7 44.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.6 mt -117.42 138.27 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.504 HG22 ' CD2' ' A' ' 125' ' ' PHE . 50.1 mt -137.42 110.5 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -126.82 146.25 50.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.543 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.4 tt -104.75 107.55 18.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.3 mt -94.12 151.69 19.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.451 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -118.72 143.38 46.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.48 164.85 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 t -66.74 -21.4 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.44 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 2.4 m-80 -85.05 45.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' ASN . 8.0 ptm180 36.6 35.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.44 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 17.6 m-85 -121.71 -175.48 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.605 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 58.8 m-85 -148.93 164.65 33.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.522 HG21 HD11 ' A' ' 112' ' ' ILE . 48.6 m -142.83 123.28 13.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.4 m -83.97 103.99 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 -89.75 110.62 21.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -113.64 117.75 32.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.498 ' CD ' HG21 ' A' ' 51' ' ' THR . 36.8 ttp85 -123.16 111.96 17.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.544 ' CZ3' ' HB2' ' A' ' 111' ' ' LYS . 27.4 p90 -121.6 163.91 18.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.07 -171.99 33.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.437 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -72.01 139.87 48.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.0 t -55.9 115.04 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 116.58 -39.06 2.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.55 170.19 10.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.0 t -69.03 -46.97 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.33 -167.72 43.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -70.53 176.54 4.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.6 p -136.17 118.43 15.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.544 ' HB2' ' CZ3' ' A' ' 101' ' ' TRP . 9.5 tptp -129.95 134.6 47.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.522 HD11 HG21 ' A' ' 96' ' ' THR . 14.0 tt -141.83 134.38 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -128.56 135.34 49.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -106.17 121.11 43.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -115.76 134.44 55.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.421 ' HA ' ' CD1' ' A' ' 94' ' ' PHE . 54.5 p -81.13 -37.87 28.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 36.6 mtt-85 -91.88 113.6 25.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.605 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 18.3 tp -43.55 -53.23 5.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -49.25 -55.61 12.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.42 -48.23 5.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.02 -48.52 81.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -55.67 -47.74 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -55.56 -44.01 76.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -66.89 -36.57 82.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.504 ' CD2' HG22 ' A' ' 85' ' ' ILE . 6.4 t80 -67.41 -46.47 73.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -74.04 -38.61 63.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.28 -56.94 15.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -56.24 -49.93 72.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -56.4 -56.59 19.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 134' ' ' LYS . 13.9 ttt85 -60.93 -30.9 70.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.04 -24.8 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.577 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 23.6 mmtp -97.4 -26.83 14.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.459 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 72.4 p -112.37 10.55 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 130' ' ' ARG . 31.2 mtpt 35.04 39.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -143.74 166.7 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -94.0 138.92 31.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -61.62 -35.43 77.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.4 -31.79 71.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.577 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 31.6 mt-10 -86.29 24.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -51.73 -25.48 7.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -56.64 -50.29 72.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.4 p-80 -111.06 46.36 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 24.7 t80 -56.52 115.47 2.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 92.2 t -92.42 143.15 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.9 t -116.66 150.97 37.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -132.32 151.8 78.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.552 0.692 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 124.54 11.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 101.87 -40.19 2.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -76.82 -175.5 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.577 ' CD2' ' HD2' ' A' ' 132' ' ' LYS . 24.8 m-85 -80.37 157.16 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.5 p -117.93 166.6 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 41.8 tp -106.7 111.88 24.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.54 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -117.61 175.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.804 ' O ' HG12 ' A' ' 155' ' ' VAL . 13.9 pt-20 -124.47 17.98 8.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.804 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.5 p 50.45 172.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.692 ' H ' HG22 ' A' ' 155' ' ' VAL . 18.7 pt20 -131.55 126.42 34.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -149.49 -56.27 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.1 m 57.31 168.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.36 126.51 3.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.2 p -156.54 171.16 20.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -150.54 162.27 40.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.55 -142.88 12.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.27 41.47 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -69.63 135.29 49.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.42 151.3 24.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.527 ' O ' HD13 ' A' ' 45' ' ' ILE . 27.5 ttt85 -55.84 167.71 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.579 HG21 HH21 ' A' ' 47' ' ' ARG . 27.1 mm -139.62 141.4 34.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.678 HG21 HG11 ' A' ' 62' ' ' VAL . 24.9 mm -114.91 159.61 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.579 HH21 HG21 ' A' ' 45' ' ' ILE . 8.9 mmt180 -141.72 116.95 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.497 ' CG2' HG23 ' A' ' 62' ' ' VAL . 94.8 t -43.58 107.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -34.61 142.51 0.23 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 110.878 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.4 Cg_endo -69.78 -36.22 11.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.331 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 p -55.76 -34.87 65.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.537 ' HA ' ' CH2' ' A' ' 98' ' ' TRP . 9.3 t -67.68 138.08 93.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.63 0.728 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.381 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.696 ' HB3' HG21 ' A' ' 60' ' ' THR . 96.1 mt -46.54 -34.84 5.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.5 p -40.16 -44.72 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.3 t -59.89 -44.81 94.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.821 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -58.03 130.04 82.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.06 41.94 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.7 -39.85 2.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.696 HG21 ' HB3' ' A' ' 54' ' ' LEU . 89.5 m -57.98 104.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.716 0.293 . . . . 0.0 111.146 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -117.89 167.63 11.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.678 HG11 HG21 ' A' ' 46' ' ' ILE . 91.2 t -84.2 102.27 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 67.9 t80 -40.91 125.05 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.577 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 13.5 mt-10 41.4 -146.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -107.47 39.86 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.549 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 43.5 m-85 -84.59 78.89 9.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.487 HD22 HG23 ' A' ' 46' ' ' ILE . 1.6 t30 -157.32 106.54 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.3 p -133.2 143.16 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.5 m -100.98 135.78 41.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.0 mt -119.95 143.61 47.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -122.32 150.99 41.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -146.44 107.43 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.8 p -110.01 156.91 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -148.51 146.3 28.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 75' ' ' ILE . 10.0 tt -75.71 52.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -134.2 108.58 8.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 41.95 40.77 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 47.43 54.78 9.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -94.75 114.88 26.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -123.08 141.31 52.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' N ' HG23 ' A' ' 104' ' ' VAL . 18.3 mtpp -136.13 167.37 21.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.54 ' HE2' HD11 ' A' ' 84' ' ' ILE . 5.4 p90 -146.12 150.54 36.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -125.05 136.61 53.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.54 HD11 ' HE2' ' A' ' 82' ' ' PHE . 18.1 mt -120.05 140.35 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.625 HG22 ' CD2' ' A' ' 125' ' ' PHE . 55.5 mt -143.07 106.86 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -127.98 141.91 51.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 tt -103.95 109.55 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.0 mt -94.57 155.02 17.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.447 ' HG3' ' CE2' ' A' ' 95' ' ' PHE . 56.1 tt0 -127.85 131.55 49.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -100.14 170.73 8.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 66.5 m -71.63 -31.01 66.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.587 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 44.9 m-20 -85.49 49.07 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' ASN . 12.6 ptm180 34.59 35.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 22.4 m-85 -118.13 117.53 29.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.546 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 74.2 m-85 -94.11 159.67 15.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 113' ' ' ASN . 47.5 m -140.63 125.78 18.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 113' ' ' ASN . 8.7 m -82.26 102.57 11.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.537 ' CH2' ' HA ' ' A' ' 52' ' ' CYS . 39.3 t-105 -87.44 115.54 24.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -120.41 141.75 49.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.521 ' HB3' HD12 ' A' ' 84' ' ' ILE . 15.2 ttm-85 -146.8 135.61 22.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 21.6 p90 -148.35 179.17 7.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.46 -141.26 9.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -100.17 137.75 38.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 81' ' ' LYS . 99.0 t -59.76 112.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.67 -30.68 5.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -112.15 150.11 31.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.557 ' CG1' ' N ' ' A' ' 108' ' ' GLY . 1.4 p -41.78 -47.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.557 ' N ' ' CG1' ' A' ' 107' ' ' VAL . . . 82.39 -150.87 29.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.446 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.422 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 9.9 mm-40 -86.62 -174.8 5.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 66.3 p -150.3 139.87 21.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -153.47 124.75 7.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.0 tt -123.67 136.57 59.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.619 ' O ' HG23 ' A' ' 96' ' ' THR . 3.3 m-80 -122.18 136.8 54.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -107.3 133.63 51.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -133.74 133.17 41.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.5 p -78.67 -36.76 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -92.7 139.09 30.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.546 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 18.8 tp -64.73 -63.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -43.43 -52.55 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.25 -49.48 6.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.89 96.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -57.82 -45.24 86.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 38.0 mtpt -57.35 -45.16 84.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.84 -46.8 77.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.625 ' CD2' HG22 ' A' ' 85' ' ' ILE . 3.3 t80 -57.94 -53.67 55.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.2 -52.75 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -48.24 -56.14 8.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 14.3 tppt? -51.75 -45.65 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.413 ' CD2' ' N ' ' A' ' 130' ' ' ARG . 18.0 t80 -64.29 -66.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 134' ' ' LYS . 8.6 ttt-85 -49.3 -29.82 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -73.37 -31.52 63.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.563 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 40.4 mmtt -91.12 -22.62 20.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 82.6 p -113.83 6.08 16.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.168 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 130' ' ' ARG . 27.6 mtpp 39.2 39.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 2.8 m-80 -144.86 163.26 34.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -91.06 134.05 34.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -56.52 -39.03 72.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.31 89.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.594 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 13.2 mt-10 -92.37 38.22 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 19.0 ptt-85 -63.18 -17.32 62.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.82 -47.2 80.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -94.45 34.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 74.6 t80 -52.01 116.13 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 95.8 t -99.13 128.03 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.2 p -96.93 109.52 22.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -93.15 153.03 41.72 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 120.36 7.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 97.37 -40.85 2.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.74 177.73 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.563 ' CD2' ' HD2' ' A' ' 132' ' ' LYS . 16.5 m-85 -79.04 142.21 36.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.6 p -101.41 166.54 10.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 44.4 tp -109.29 109.71 20.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.526 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -115.9 168.61 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.802 ' O ' HG12 ' A' ' 155' ' ' VAL . 10.4 pt-20 -118.1 17.24 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.802 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.1 p 50.58 173.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.692 ' H ' HG22 ' A' ' 155' ' ' VAL . 49.0 mt-30 -127.09 120.9 30.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.906 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.4 p -170.95 133.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.382 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.6 p 178.39 -59.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.93 -161.41 45.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.0 t -124.27 106.89 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 110.843 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.4 m -134.78 177.44 7.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -114.01 171.25 13.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.55 37.35 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.716 0.293 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.36 177.07 4.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mmtm -118.53 135.66 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.445 ' O ' HD13 ' A' ' 45' ' ' ILE . 19.8 ttt85 -94.17 157.87 15.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.445 HD13 ' O ' ' A' ' 44' ' ' ARG . 32.1 mm -137.62 140.92 40.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.471 HG21 HG11 ' A' ' 62' ' ' VAL . 48.3 mm -115.21 133.9 60.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -108.38 114.5 28.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.594 HG22 HG23 ' A' ' 62' ' ' VAL . 89.6 t -50.12 116.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -36.18 141.86 0.33 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.854 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.1 Cg_endo -69.8 -38.89 7.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.252 . . . . 0.0 112.361 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -56.38 -31.83 64.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.5 t -68.16 134.92 91.43 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.542 0.687 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -51.31 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' ASN . 53.6 mt -45.77 -33.42 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' LEU . 60.3 p -37.25 -42.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.4 t -66.28 -44.4 83.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' LEU . 47.3 m-20 -54.26 126.71 54.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.601 0.715 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 130.74 19.81 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.36 -34.15 5.87 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.1 m -59.47 104.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.738 0.304 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -117.93 157.55 26.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.616 HG22 HD23 ' A' ' 88' ' ' LEU . 94.4 t -80.79 109.56 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.565 ' HB3' HD22 ' A' ' 87' ' ' LEU . 63.9 t80 -45.39 119.6 2.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.54 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 9.2 mt-10 48.59 -144.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -105.67 44.35 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -87.79 78.85 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -157.3 105.66 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.4 m -139.78 164.08 30.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.6 m -118.4 146.61 44.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.501 ' HB3' ' CD1' ' A' ' 150' ' ' TYR . 50.9 mt -118.29 146.23 44.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -134.71 144.82 47.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.517 ' OE1' ' CE2' ' A' ' 150' ' ' TYR . 11.5 pt20 -151.79 125.45 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.5 p -125.38 158.21 34.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -149.52 148.57 29.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.544 HG23 ' O ' ' A' ' 75' ' ' ILE . 8.7 tt -75.52 51.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -134.6 108.84 8.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 42.59 41.14 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 m120 48.0 54.56 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.407 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 2.8 t-20 -81.27 112.66 18.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 79' ' ' ASN . 5.1 m-20 -133.42 123.38 25.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -132.88 174.84 9.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -143.9 159.28 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.416 ' HB3' HD12 ' A' ' 70' ' ' LEU . 2.1 t80 -142.5 124.08 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 89.3 mt -113.45 135.64 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 75.1 mt -137.88 108.32 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -121.74 158.28 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' A' ' 63' ' ' TYR . 1.4 tt -115.89 108.0 15.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.616 HD23 HG22 ' A' ' 62' ' ' VAL . 29.2 mt -95.65 157.42 15.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.557 ' HG3' ' CE2' ' A' ' 95' ' ' PHE . 22.1 tt0 -137.89 130.32 29.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -98.22 169.32 9.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.5 p -63.85 -32.73 74.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 6.3 m-20 -81.35 49.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 92' ' ' ASN . 1.3 ppt_? 32.13 36.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.3 m-85 -115.02 120.34 39.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.793 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 49.8 m-85 -92.89 160.81 14.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.8 m -147.24 120.58 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 5.5 m -86.12 109.44 18.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 49.6 t-105 -87.14 112.63 22.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -110.04 127.72 55.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -136.6 116.46 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -132.1 176.77 8.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.38 -124.22 1.98 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -119.31 156.54 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.0 t -70.24 121.73 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.78 29.97 9.41 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -160.29 154.72 23.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.4 t -57.47 -39.49 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.21 -171.36 36.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -59.25 173.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.943 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 m -142.15 118.93 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -136.3 124.57 23.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.6 tt -124.02 134.94 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -125.7 133.9 51.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -108.71 130.48 55.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -122.83 130.44 52.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.1 p -71.31 -41.95 69.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -92.42 145.93 24.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.793 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 30.4 tp -69.5 -59.55 2.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -45.01 -54.49 6.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -45.85 -47.35 15.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.26 -49.63 74.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -51.4 -46.95 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -53.98 -43.42 69.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.02 -37.92 86.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -69.15 -56.36 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -61.99 -38.75 89.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -63.62 -58.48 6.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 16.6 tppt? -60.13 -45.6 92.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -61.6 -48.43 80.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 134' ' ' LYS . 18.1 ttt-85 -67.94 -29.81 68.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.14 -22.04 60.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.451 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 69.2 mmtt -99.3 -27.54 13.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 65.7 p -108.67 -1.73 19.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 130' ' ' ARG . 16.8 mtpp 50.13 36.86 13.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 4.5 m-80 -148.51 162.04 40.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -86.02 135.65 33.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -59.19 -34.0 71.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.74 -32.23 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.488 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 15.9 mt-10 -85.11 27.48 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -53.37 -24.76 13.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.3 -49.97 72.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.488 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.8 p-80 -108.48 50.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -71.7 112.57 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.482 HG13 ' NE2' ' A' ' 146' ' ' HIS . 7.6 p -90.78 132.91 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 31.3 p -99.39 99.23 10.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.482 ' NE2' HG13 ' A' ' 144' ' ' VAL . 54.0 m-70 -80.33 149.44 68.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.571 0.701 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 131.12 20.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 0.0 112.358 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 92.55 -40.52 2.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -71.85 175.43 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.517 ' CE2' ' OE1' ' A' ' 72' ' ' GLN . 12.2 m-85 -74.01 137.45 43.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.4 p -101.72 166.46 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 38.7 tp -105.78 108.84 20.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.55 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -111.78 178.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.811 ' O ' HG12 ' A' ' 155' ' ' VAL . 9.1 pt-20 -130.87 16.01 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.3 p 50.71 172.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.679 ' H ' HG22 ' A' ' 155' ' ' VAL . 75.7 mt-30 -108.64 83.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.6 m -135.49 99.8 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 m -112.36 -55.38 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.15 -159.48 31.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 t -165.74 42.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.5 m -128.91 142.51 50.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.16 -132.13 2.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.453 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.58 89.52 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.746 0.308 . . . . 0.0 111.078 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -118.32 175.45 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.89 177.22 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -78.18 143.18 37.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 46' ' ' ILE . 50.4 mm -116.31 152.23 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.49 HG21 ' OE1' ' A' ' 86' ' ' GLN . 26.8 mm -122.02 143.68 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -113.99 111.92 22.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' ASP . 99.9 t -44.05 117.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -34.98 141.98 0.26 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.676 0.751 . . . . 0.0 110.805 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.3 Cg_endo -69.83 -31.46 20.19 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.731 2.288 . . . . 0.0 112.29 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.6 p -59.28 -38.19 79.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.152 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 38.3 t -67.67 136.93 92.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -50.03 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.618 ' CD1' HD11 ' A' ' 112' ' ' ILE . 63.5 mt -43.19 -34.99 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.1 p -40.81 -48.58 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.6 m -59.22 -45.59 90.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -55.39 128.35 67.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.613 0.721 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 134.5 28.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.371 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.99 -33.72 6.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.58 HG21 ' HB3' ' A' ' 54' ' ' LEU . 95.7 m -66.68 93.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 111.133 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -109.33 178.28 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.406 HG23 HG22 ' A' ' 48' ' ' VAL . 41.1 t -95.49 108.94 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 29.9 t80 -53.9 99.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 5.3 mt-10 72.48 -145.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' OD2' HD11 ' A' ' 46' ' ' ILE . 9.2 t70 -113.33 40.05 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.402 ' HD1' ' CE1' ' A' ' 125' ' ' PHE . 15.2 m-85 -80.42 75.54 7.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.3 t30 -145.58 108.23 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.0 p -131.48 138.62 49.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.4 m -98.85 132.92 43.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.1 mt -117.6 134.11 55.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -112.87 155.97 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.431 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 6.6 tp60 -150.64 107.08 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.502 HG22 ' CG ' ' A' ' 80' ' ' ASN . 10.9 p -109.36 156.11 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -145.73 146.54 31.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 75' ' ' ILE . 8.4 tp -75.66 52.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -135.35 109.27 8.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 42.12 40.69 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.4 m120 46.02 54.96 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -94.86 118.66 32.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.502 ' CG ' HG22 ' A' ' 73' ' ' THR . 21.7 m-20 -123.14 137.48 54.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.446 ' CA ' HG23 ' A' ' 104' ' ' VAL . 62.3 mttt -126.7 172.09 10.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -140.93 171.29 14.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -160.35 117.81 2.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 27.7 mt -114.17 139.26 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.494 HG22 ' CD2' ' A' ' 125' ' ' PHE . 43.1 mt -137.79 109.71 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.49 ' OE1' HG21 ' A' ' 46' ' ' ILE . 13.3 mt-30 -118.49 149.7 40.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 63' ' ' TYR . 4.0 tt -103.3 108.08 19.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.5 mt -95.17 148.61 22.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.432 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 20.0 tt0 -131.74 115.71 16.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.17 168.33 18.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.3 t -75.77 -19.52 58.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.458 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 28.8 m-20 -91.15 43.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.2 mtt85 42.16 40.78 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.458 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 20.6 m-85 -132.02 116.3 16.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.981 ' CE2' HD13 ' A' ' 118' ' ' LEU . 16.0 m-85 -92.33 167.55 11.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 113' ' ' ASN . 63.3 m -147.46 122.1 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.5 m -88.76 106.55 18.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.505 ' CZ2' ' HB2' ' A' ' 100' ' ' ARG . 44.5 t-105 -86.43 120.76 28.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -123.08 108.62 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.505 ' HB2' ' CZ2' ' A' ' 98' ' ' TRP . 22.8 ttt180 -116.46 128.76 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.481 ' CH2' ' HB2' ' A' ' 111' ' ' LYS . 17.6 p90 -144.14 175.04 10.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.76 -153.68 24.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -82.94 128.87 34.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.471 HG23 ' C ' ' A' ' 80' ' ' ASN . 87.0 t -49.36 124.17 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.24 -41.13 2.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -102.04 143.82 31.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 89.7 t -43.84 -46.17 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.08 -144.38 33.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -83.93 155.74 22.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.3 p -126.59 131.03 51.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.481 ' HB2' ' CH2' ' A' ' 101' ' ' TRP . 28.1 tptt -136.89 121.99 19.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.618 HD11 ' CD1' ' A' ' 54' ' ' LEU . 15.3 tt -125.85 135.8 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.588 ' O ' HG23 ' A' ' 96' ' ' THR . 15.8 m120 -123.38 140.46 52.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -109.89 133.23 53.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -131.08 125.78 34.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.3 p -67.84 -39.78 83.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.6 mtp85 -90.72 170.34 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.981 HD13 ' CE2' ' A' ' 95' ' ' PHE . 21.7 tp -94.61 -49.42 5.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.413 ' C ' ' HE3' ' A' ' 123' ' ' LYS . 67.3 mt-10 -53.89 -60.07 3.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -41.52 -46.36 3.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.2 86.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -59.49 -44.53 93.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.413 ' HE3' ' C ' ' A' ' 119' ' ' GLU . 35.4 mttt -56.22 -42.35 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -48.5 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.551 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 1.6 t80 -54.28 -48.62 71.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.21 -57.82 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -39.53 -55.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.8 tppt? -52.23 -44.59 64.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 133' ' ' THR . 9.2 t80 -68.66 -62.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.42 ' N ' ' CD1' ' A' ' 129' ' ' PHE . 37.8 ttp85 -49.2 -24.57 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -85.21 -34.15 22.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -84.0 -18.95 35.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.477 HG21 ' CE2' ' A' ' 129' ' ' PHE . 68.3 p -115.59 -13.74 11.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 60.35 40.32 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.412 HD21 ' CG1' ' A' ' 144' ' ' VAL . 26.6 m-80 -154.63 145.45 22.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -72.0 135.17 46.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -55.19 -38.5 68.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.84 -41.0 79.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.59 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.1 mt-10 -89.09 36.6 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -60.35 -23.05 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -50.39 -52.01 41.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -90.7 36.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.598 ' CZ ' ' CB ' ' A' ' 152' ' ' LEU . 52.3 t80 -62.27 107.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.458 HG13 ' NE2' ' A' ' 146' ' ' HIS . 5.2 p -96.82 127.84 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 65.9 p -93.53 99.43 11.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.458 ' NE2' HG13 ' A' ' 144' ' ' VAL . 70.5 m-70 -80.79 145.52 57.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.549 0.69 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 114.85 3.83 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.682 2.255 . . . . 0.0 112.373 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 115.38 -38.57 3.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -80.71 178.84 8.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.431 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 30.7 m-85 -75.03 149.94 39.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.5 p -108.01 164.7 12.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.598 ' CB ' ' CZ ' ' A' ' 143' ' ' PHE . 35.2 tp -106.78 108.69 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.595 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.88 172.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.802 ' O ' HG12 ' A' ' 155' ' ' VAL . 15.3 pt-20 -121.81 14.35 10.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.802 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.0 p 50.44 172.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.686 ' H ' HG22 ' A' ' 155' ' ' VAL . 82.9 mt-30 -134.84 104.33 5.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 t 63.15 130.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.869 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.3 t -164.62 99.85 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.31 -138.76 6.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.1 t 61.66 118.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.7 t -48.2 131.36 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -81.48 -89.05 0.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.469 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 66.8 115.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.3 . . . . 0.0 111.123 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -50.86 146.57 5.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -93.84 126.54 39.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -60.96 139.19 58.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.0 mm -132.87 148.76 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.5 mm -120.17 139.26 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -113.32 122.97 49.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.459 HG11 ' HA ' ' A' ' 55' ' ' SER . 42.2 t -51.84 119.2 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -47.87 142.7 6.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.846 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.6 Cg_endo -69.71 -34.13 15.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.538 HG21 ' NE ' ' A' ' 100' ' ' ARG . 11.8 p -56.88 -39.7 74.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.5 t -66.11 137.35 95.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.619 0.723 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -50.88 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.638 2.225 . . . . 0.0 112.359 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.484 ' HB3' HG21 ' A' ' 60' ' ' THR . 73.8 mt -45.53 -34.84 3.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.459 ' HA ' HG11 ' A' ' 48' ' ' VAL . 6.3 t -39.45 -46.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.0 t -55.74 -47.55 76.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -56.46 130.66 76.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 141.18 44.68 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.351 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.38 -40.37 2.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.484 HG21 ' HB3' ' A' ' 54' ' ' LEU . 97.0 m -56.97 106.61 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.752 0.311 . . . . 0.0 111.134 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -123.32 158.58 30.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.546 HG22 HD23 ' A' ' 88' ' ' LEU . 94.1 t -74.06 102.65 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 76.4 t80 -36.96 124.36 0.89 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 18.4 mt-10 43.32 -146.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.06 41.58 1.45 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -83.05 70.46 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.2 t30 -146.94 100.49 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 p -121.1 141.19 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.9 m -101.59 135.57 42.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -120.71 140.71 51.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -119.25 151.75 37.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -150.1 106.4 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.3 p -115.34 155.42 27.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -148.86 148.21 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 75' ' ' ILE . 8.1 tt -75.55 51.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -134.85 108.82 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 42.44 40.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 m120 48.36 54.95 9.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.46 114.45 20.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.468 ' C ' HG23 ' A' ' 104' ' ' VAL . 9.0 m-20 -130.68 129.78 43.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.4 ' N ' HG23 ' A' ' 104' ' ' VAL . 35.8 mtmt -128.3 178.65 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -151.6 128.27 10.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -112.63 123.85 51.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.6 mt -118.32 131.14 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.0 mt -132.81 104.3 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -114.66 157.94 22.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.6 tt -120.68 103.55 9.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.546 HD23 HG22 ' A' ' 62' ' ' VAL . 13.4 mt -91.34 163.0 14.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -144.55 117.34 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.52 170.55 13.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.6 t -63.79 -26.02 68.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.57 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 3.3 m120 -85.47 47.3 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 31.98 36.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 22.0 m-85 -117.49 118.1 31.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 1.073 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 18.9 m-85 -91.94 165.04 13.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.829 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.412 HG21 HD11 ' A' ' 112' ' ' ILE . 68.6 m -150.03 120.91 7.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.64 104.51 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -86.62 116.73 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -116.33 132.18 56.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.538 ' NE ' HG21 ' A' ' 51' ' ' THR . 42.6 ttp85 -143.04 114.53 7.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 37.3 p90 -121.95 161.04 23.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 156.34 -173.99 34.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -69.57 136.7 51.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.468 HG23 ' C ' ' A' ' 80' ' ' ASN . 92.3 t -52.91 116.14 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 116.91 -39.46 2.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -91.42 170.03 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 100.0 t -71.23 -44.5 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.94 -157.87 41.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -81.1 169.47 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.6 p -130.43 125.32 34.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -137.92 113.93 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.412 HD11 HG21 ' A' ' 96' ' ' THR . 8.0 tt -116.65 136.28 54.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -125.94 125.12 42.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -98.38 139.27 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -135.08 134.5 40.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 19.8 p -80.31 -37.9 31.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.2 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -95.31 137.55 34.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.073 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 43.3 tp -60.55 -62.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -49.31 -42.56 41.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.48 -44.44 65.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.59 -42.09 74.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HE3' HD11 ' A' ' 118' ' ' LEU . 59.2 mttt -56.31 -46.21 79.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -53.35 -39.48 64.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.21 -50.05 15.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 5.3 t80 -53.12 -47.06 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -71.15 -53.15 15.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -43.15 -56.52 3.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.47 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -51.42 -45.88 62.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -62.84 -62.22 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 134' ' ' LYS . 13.9 ttt-85 -54.74 -29.93 55.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.16 -24.48 57.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.437 ' HD2' ' CD2' ' A' ' 150' ' ' TYR . 55.9 mmtt -99.84 -19.66 16.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 64.6 p -117.7 6.45 12.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 130' ' ' ARG . 23.8 mtpp 38.73 36.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -143.74 164.07 31.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -86.67 141.61 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -66.11 -36.4 83.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.17 -39.17 68.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.598 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.7 mt-10 -92.33 36.49 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -62.0 -17.5 57.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -56.8 -47.01 81.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -95.84 36.56 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 152' ' ' LEU . 51.3 t80 -53.42 115.86 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 142' ' ' HIS . 84.9 t -106.39 114.37 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.9 t -81.48 144.34 31.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -125.75 149.48 65.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 113.24 3.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 112.5 -38.75 3.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -77.82 178.3 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.437 ' CD2' ' HD2' ' A' ' 132' ' ' LYS . 16.1 m-85 -78.29 151.83 32.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 9.9 p -107.29 166.38 10.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 143' ' ' PHE . 35.3 tp -109.93 108.17 18.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.531 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -113.74 169.81 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.792 ' O ' HG12 ' A' ' 155' ' ' VAL . 14.0 pt-20 -118.83 12.14 12.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.792 HG12 ' O ' ' A' ' 154' ' ' GLU . 8.1 p 50.36 172.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.682 ' H ' HG22 ' A' ' 155' ' ' VAL . 11.1 pt20 -134.34 118.49 17.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.7 p -170.2 128.7 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.846 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.6 t 176.95 132.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.61 159.42 9.63 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -173.44 143.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.38 . . . . 0.0 110.848 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.3 p -158.3 119.38 3.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.8 -151.14 12.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.37 137.82 35.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.328 . . . . 0.0 111.063 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -40.62 137.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -114.59 140.23 48.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -103.82 143.9 32.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.7 mm -129.26 143.97 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.516 HG21 HG11 ' A' ' 62' ' ' VAL . 11.2 mm -122.22 157.96 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 47' ' ' ARG . 3.0 mmm180 -136.53 129.2 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' ASP . 87.2 t -55.65 115.89 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 3.3 t70 -36.87 142.09 0.37 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.3 Cg_endo -69.77 -42.95 2.95 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 p -53.65 -28.45 33.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -73.75 135.51 77.82 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -51.39 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.705 ' HB3' HG21 ' A' ' 60' ' ' THR . 45.8 mt -41.79 -36.08 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.8 t -40.56 -45.05 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.8 m -59.65 -48.71 80.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -54.12 129.67 58.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 133.04 24.69 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.652 2.235 . . . . 0.0 112.406 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.24 -36.6 4.29 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.705 HG21 ' HB3' ' A' ' 54' ' ' LEU . 37.9 m -65.73 111.6 3.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.71 0.291 . . . . 0.0 111.114 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -131.08 161.01 33.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.516 HG11 HG21 ' A' ' 46' ' ' ILE . 59.2 t -71.65 111.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 55.6 t80 -51.73 130.37 28.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.575 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 10.3 mt-10 37.69 -143.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -107.23 42.19 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -84.65 71.11 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 11.2 p-10 -147.43 102.97 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.2 p -125.02 137.47 54.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.4 m -98.99 130.76 45.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.4 mt -117.03 141.84 47.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -119.59 159.15 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 5.2 tp60 -155.01 105.02 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.0 p -111.41 157.51 20.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -148.91 147.0 28.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.686 HG23 ' O ' ' A' ' 75' ' ' ILE . 3.0 tp -75.6 51.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -136.09 109.71 8.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.2 m120 42.56 40.51 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 47.75 54.99 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -83.04 114.45 21.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -125.56 127.01 45.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -123.45 176.44 6.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -151.11 132.12 14.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -118.25 120.01 36.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.951 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.8 mt -111.79 135.35 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.575 HG22 ' CD2' ' A' ' 125' ' ' PHE . 74.9 mt -138.53 106.27 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -121.11 146.99 46.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 tt -103.76 111.97 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.7 mt -97.92 152.73 18.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.439 ' HG3' ' CE2' ' A' ' 95' ' ' PHE . 24.9 tt0 -131.07 115.61 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.47 169.38 17.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.4 m -76.15 -19.45 58.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.547 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 17.9 m-20 -91.63 45.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.435 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 15.4 mtp180 39.54 43.14 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 20.4 m-85 -134.72 119.0 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.796 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 39.8 m-85 -91.59 166.2 12.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 113' ' ' ASN . 9.2 m -145.9 122.0 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 49.4 m -85.44 103.1 14.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -86.43 115.66 24.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -123.31 121.26 35.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -131.6 117.85 19.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 28.7 p90 -127.27 165.11 20.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 152.86 -157.45 27.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -83.57 136.23 34.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.375 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.2 t -53.42 126.1 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 104.37 -40.39 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.34 138.43 34.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.847 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.4 t -40.09 -39.81 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.27 -151.56 45.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -82.68 154.9 24.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.935 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 65.0 p -122.94 126.22 46.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -139.58 118.07 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.6 tt -121.34 140.84 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 96' ' ' THR . 4.3 m120 -128.53 139.81 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -114.31 129.29 56.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -124.38 135.51 53.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.9 p -75.61 -42.93 50.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -92.01 148.92 21.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.796 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 36.0 tp -72.91 -54.15 9.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -50.55 -44.06 56.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -56.4 -44.14 79.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.64 92.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.626 ' HE3' HD11 ' A' ' 118' ' ' LEU . 63.4 mttt -60.76 -45.42 94.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -57.52 -42.8 83.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.84 -55.78 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.575 ' CD2' HG22 ' A' ' 85' ' ' ILE . 1.6 t80 -51.99 -47.42 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.24 -57.8 4.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.4 OUTLIER -40.34 -54.16 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.455 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 15.2 tppt? -52.28 -52.49 52.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 130' ' ' ARG . 2.9 t80 -59.32 -59.36 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 134' ' ' LYS . 38.9 ttp85 -51.28 -32.08 23.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -77.67 -30.08 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -86.78 -21.64 26.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.441 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 32.6 p -116.59 -2.23 12.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 130' ' ' ARG . 34.6 mtpt 49.0 40.39 16.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -152.2 145.18 24.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -69.95 139.73 52.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -63.33 -36.85 85.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.29 -39.98 74.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.3 mt-10 -91.38 37.67 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -61.5 -19.87 62.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -53.99 -45.25 71.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -99.29 40.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.441 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 60.5 t80 -55.76 109.59 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 70.7 t -97.94 104.38 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.1 p -75.84 99.82 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -75.45 146.45 80.95 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.604 0.716 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 120.28 7.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.385 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 108.7 -41.41 2.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -74.03 -177.38 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.321 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 21.8 m-85 -72.62 175.73 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.3 p -130.15 163.82 25.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 51.3 tp -104.35 111.44 24.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.57 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -118.86 172.22 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.8 ' O ' HG12 ' A' ' 155' ' ' VAL . 14.8 pt-20 -120.75 17.05 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.8 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.5 p 50.37 172.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.686 ' H ' HG22 ' A' ' 155' ' ' VAL . 46.7 mm-40 -150.22 115.19 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.5 p -102.95 -49.2 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.0 m 49.65 93.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.54 170.67 54.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m 47.31 83.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.7 p -127.9 115.12 18.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.02 -62.14 6.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.467 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.63 133.65 12.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -47.01 110.77 0.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -45.62 162.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.22 125.99 44.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.2 mm -104.84 146.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.573 HG21 HG11 ' A' ' 62' ' ' VAL . 47.5 mm -121.56 136.83 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -112.93 130.42 56.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 58.7 t -62.24 111.92 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -35.89 141.62 0.32 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.1 Cg_endo -69.69 -43.24 2.84 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.737 2.291 . . . . 0.0 112.368 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.403 HG21 ' CZ ' ' A' ' 100' ' ' ARG . 29.5 p -54.53 -28.45 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.1 t -74.96 132.52 77.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -52.27 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.382 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.643 ' HB3' HG21 ' A' ' 60' ' ' THR . 88.5 mt -38.37 -33.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -43.67 -46.84 7.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -54.84 -47.97 73.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -57.34 126.57 74.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 135.94 31.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.83 -33.87 6.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.643 HG21 ' HB3' ' A' ' 54' ' ' LEU . 97.9 m -61.54 104.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 0.0 111.128 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -115.49 169.56 9.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.573 HG11 HG21 ' A' ' 46' ' ' ILE . 73.2 t -87.96 103.33 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 82.6 t80 -40.42 118.12 0.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 7.3 mt-10 50.52 -145.38 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -108.81 40.68 1.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -81.94 78.22 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.451 ' CG ' HD12 ' A' ' 46' ' ' ILE . 11.2 p-10 -153.8 97.17 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.1 p -124.88 136.81 54.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.3 m -95.26 136.45 35.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.7 mt -120.13 139.16 53.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -116.08 154.38 30.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -151.34 106.54 3.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.53 HG22 ' OD1' ' A' ' 80' ' ' ASN . 10.4 p -109.96 156.85 19.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.163 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -147.8 147.08 29.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.59 HG23 ' O ' ' A' ' 75' ' ' ILE . 9.0 tt -75.48 51.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -134.23 108.28 8.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 42.09 40.88 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 m120 46.11 53.64 9.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -90.8 117.32 29.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.53 ' OD1' HG22 ' A' ' 73' ' ' THR . 57.1 m-20 -123.69 135.99 54.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -122.95 174.28 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.466 ' HB3' HG22 ' A' ' 104' ' ' VAL . 7.9 p90 -148.62 129.9 14.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.536 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 2.9 t80 -116.21 124.74 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.2 mt -117.34 137.87 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.142 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.475 HG22 ' CD2' ' A' ' 125' ' ' PHE . 63.5 mt -139.2 108.93 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -124.49 153.95 41.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 63' ' ' TYR . 2.4 tt -112.77 116.06 29.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.45 ' CD2' HG22 ' A' ' 62' ' ' VAL . 35.5 mt -104.16 152.01 22.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 95' ' ' PHE . 28.5 tt0 -129.21 117.44 20.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -84.24 167.85 16.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 t -79.46 -2.42 41.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.57 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 35.9 m-20 -99.83 39.21 1.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.407 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 16.6 mtm180 45.57 32.75 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 15.5 m-85 -134.11 135.88 43.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 1.002 ' CE2' HD13 ' A' ' 118' ' ' LEU . 4.2 m-85 -105.35 167.46 9.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.546 HG21 HD11 ' A' ' 112' ' ' ILE . 23.2 m -144.58 120.88 10.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.161 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.38 106.75 16.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -86.33 125.27 33.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -125.11 126.53 45.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.403 ' CZ ' HG21 ' A' ' 51' ' ' THR . 55.2 ttt180 -131.0 120.67 23.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -140.92 169.37 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 143.74 -132.1 4.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -101.28 128.37 47.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.466 HG22 ' HB3' ' A' ' 82' ' ' PHE . 81.9 t -48.17 133.25 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 100.3 -42.3 1.99 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -96.3 175.49 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.38 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 85.5 t -74.71 -45.46 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.57 -140.48 22.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -83.8 170.09 14.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 61.0 p -134.64 122.94 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -139.19 118.35 12.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.546 HD11 HG21 ' A' ' 96' ' ' THR . 13.8 tt -124.03 138.18 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -131.07 122.26 26.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -95.59 142.56 27.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.404 ' CD1' ' OD1' ' A' ' 120' ' ' ASP . 96.2 m-85 -134.23 130.19 36.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 82.2 p -67.02 -44.53 80.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -91.39 154.94 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.002 HD13 ' CE2' ' A' ' 95' ' ' PHE . 27.7 tp -78.33 -54.55 6.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -49.16 -49.22 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.404 ' OD1' ' CD1' ' A' ' 115' ' ' PHE . 7.6 t70 -48.84 -43.47 38.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.41 -45.8 75.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -53.36 -42.87 67.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -60.15 -42.89 95.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.81 -45.79 81.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.475 ' CD2' HG22 ' A' ' 85' ' ' ILE . 5.0 t80 -58.35 -56.05 27.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -63.44 -51.18 66.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER -45.33 -56.79 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 16.0 tppt? -55.94 -57.82 10.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -46.3 -59.56 2.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 134' ' ' LYS . 31.7 ttt180 -59.68 -32.01 70.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -71.93 -23.34 61.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -97.66 -27.63 14.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 66.4 p -111.58 7.23 20.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 130' ' ' ARG . 18.2 mtpp 40.05 35.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 3.5 m-80 -142.1 167.32 22.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -91.54 144.2 25.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -71.16 -36.32 71.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.21 -32.75 74.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.453 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 38.0 mt-10 -87.41 26.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 21.2 ptt-85 -50.11 -23.62 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -56.84 -49.75 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.453 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.7 p-80 -111.81 44.49 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.468 ' CE1' ' HB3' ' A' ' 152' ' ' LEU . 31.5 t80 -54.59 105.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 87.9 t -75.24 132.2 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 80.2 p -107.55 105.27 15.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -82.36 147.85 57.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.807 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 113.8 3.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.367 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 108.65 -39.23 2.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -72.02 174.21 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.338 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.536 ' CE1' ' HB2' ' A' ' 83' ' ' TYR . 21.8 m-85 -68.2 141.26 56.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.1 p -101.6 166.25 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 143' ' ' PHE . 42.5 tp -108.71 108.17 18.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.544 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.13 173.61 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.558 ' O ' HG12 ' A' ' 155' ' ' VAL . 14.4 pt-20 -126.55 17.96 7.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.74 HG22 ' H ' ' A' ' 156' ' ' GLN . 1.1 p 44.54 -175.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.74 ' H ' HG22 ' A' ' 155' ' ' VAL . 65.5 mt-30 -124.79 105.15 9.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.909 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' SER . 26.3 m -115.57 -57.71 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' SER . 37.5 p 36.93 84.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.49 45.8 3.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.535 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 t -179.36 42.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.835 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.6 p -81.58 143.4 32.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.02 -70.6 0.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.14 84.01 5.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.733 0.301 . . . . 0.0 111.126 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -118.63 156.06 29.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' N ' ' HD2' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -100.0 109.49 21.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.63 135.46 18.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 mm -114.04 145.27 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.591 HG21 HG11 ' A' ' 62' ' ' VAL . 10.9 mm -121.64 155.68 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.43 ' N ' HG22 ' A' ' 46' ' ' ILE . 17.1 mmm180 -138.57 120.58 15.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 62' ' ' VAL . 63.6 t -47.66 118.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.445 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -46.87 143.07 4.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.844 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.6 Cg_endo -69.73 -35.94 11.81 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.463 HG21 ' NE ' ' A' ' 100' ' ' ARG . 18.9 p -55.39 -40.63 71.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 14.1 t -63.73 138.54 97.41 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.24 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.724 2.282 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.526 ' HB3' HG21 ' A' ' 60' ' ' THR . 83.9 mt -45.25 -36.34 3.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.22 -49.15 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 m -56.83 -42.66 80.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -60.41 125.17 81.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.58 0.705 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 135.61 30.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.11 -37.15 3.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.526 HG21 ' HB3' ' A' ' 54' ' ' LEU . 99.1 m -59.57 116.04 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.747 0.308 . . . . 0.0 111.157 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -122.96 166.69 14.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.591 HG11 HG21 ' A' ' 46' ' ' ILE . 90.8 t -85.99 102.41 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.578 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 65.0 t80 -40.15 125.69 2.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.578 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 5.9 mt-10 41.22 -143.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.28 46.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.445 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 42.9 m-85 -89.17 80.8 6.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -163.13 108.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.9 p -132.8 142.85 49.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.8 m -99.3 134.27 42.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -118.46 145.8 44.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -128.01 149.18 50.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -151.28 128.66 11.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.404 HG22 ' CG ' ' A' ' 80' ' ' ASN . 14.3 p -129.12 158.67 38.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -146.55 150.23 35.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 75' ' ' ILE . 6.7 tt -75.43 50.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -133.95 107.8 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 42.05 40.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.8 m120 45.61 55.0 7.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -87.83 115.48 25.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.407 ' C ' HG23 ' A' ' 104' ' ' VAL . 8.4 m-20 -127.77 132.17 49.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -125.28 178.9 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -147.64 137.13 22.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.425 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 0.6 OUTLIER -119.35 122.39 41.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.5 mt -117.58 136.69 53.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.497 HG22 ' CD2' ' A' ' 125' ' ' PHE . 81.1 mt -138.79 109.57 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -124.86 145.08 49.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 tt -108.19 113.9 27.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.1 mt -101.26 167.85 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -150.58 119.41 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 90' ' ' ASP . 24.4 p30 -90.36 168.17 12.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.0 m -69.93 -5.35 25.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.491 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 21.7 m-20 -94.33 37.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 39.1 37.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 21.9 m-85 -131.8 123.23 27.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.987 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 28.6 m-85 -94.07 155.44 17.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.73 HG21 HD11 ' A' ' 112' ' ' ILE . 25.9 m -132.3 137.13 47.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.14 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.1 m -100.03 102.5 13.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -86.46 115.02 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -122.13 116.76 24.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.463 ' NE ' HG21 ' A' ' 51' ' ' THR . 43.9 ttp85 -128.45 118.83 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -129.27 164.32 23.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.68 -168.38 33.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -70.43 137.07 50.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.407 HG23 ' C ' ' A' ' 80' ' ' ASN . 87.9 t -54.68 120.31 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.29 -40.2 2.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -90.34 174.87 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.9 t -74.55 -45.89 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.21 -170.01 53.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -67.32 166.77 13.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.1 p -131.39 120.58 23.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -134.87 124.14 24.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.73 HD11 HG21 ' A' ' 96' ' ' THR . 13.2 tt -125.73 145.33 33.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.665 ' O ' HG23 ' A' ' 96' ' ' THR . 4.6 m-80 -127.63 149.39 50.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -123.77 123.57 40.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -120.17 134.22 55.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 78.0 p -78.21 -25.71 47.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -106.54 139.94 40.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.987 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 23.8 tp -63.95 -49.79 71.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -49.5 -56.86 8.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -41.54 -44.61 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.95 -46.88 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -50.71 -47.73 59.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 124' ' ' ASP . 18.3 mttt -62.5 -69.42 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 123' ' ' LYS . 9.9 t0 -35.42 -48.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.497 ' CD2' HG22 ' A' ' 85' ' ' ILE . 3.3 t80 -60.21 -57.55 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -62.48 -62.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER -39.6 -53.17 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.468 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.9 tppt? -55.83 -49.85 72.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -58.51 -58.59 7.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 134' ' ' LYS . 8.1 ttt85 -54.75 -31.91 59.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.05 -27.99 64.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.575 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 67.9 mmtt -94.77 -23.65 17.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 134' ' ' LYS . 66.9 p -115.49 11.55 15.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 130' ' ' ARG . 9.9 mtpm? 34.2 40.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -146.48 152.96 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -81.52 135.48 35.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -58.97 -40.21 84.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.13 90.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.6 mt-10 -91.86 39.55 1.02 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -62.3 -21.71 65.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -52.12 -45.46 64.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -99.59 41.08 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 72.4 t80 -56.78 103.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 142' ' ' HIS . 80.0 t -93.29 105.02 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.5 t -79.19 152.88 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -126.15 152.27 73.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.557 0.694 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.62 4.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.656 2.237 . . . . 0.0 112.324 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 100.69 -32.8 6.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -71.93 -175.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.575 ' CE2' ' HD2' ' A' ' 132' ' ' LYS . 29.3 m-85 -81.99 130.92 35.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.3 p -96.71 166.49 11.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 52.5 tp -107.7 111.92 24.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.547 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -117.31 171.74 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.797 ' O ' HG12 ' A' ' 155' ' ' VAL . 9.6 pt-20 -121.13 16.64 11.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.797 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.5 p 50.41 172.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.683 ' H ' HG22 ' A' ' 155' ' ' VAL . 9.1 pt20 -124.23 95.64 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.0 p -72.75 130.89 41.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.833 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.2 p -112.39 146.34 38.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.27 -88.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 p 61.13 120.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 m -159.57 42.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.11 -146.32 14.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.89 163.12 14.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.732 0.301 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.39 149.87 42.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.96 149.92 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -43.48 138.85 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.7 mm -109.44 143.37 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.601 HG21 HG11 ' A' ' 62' ' ' VAL . 41.4 mm -115.49 138.29 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -112.32 130.48 55.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.556 HG22 HG23 ' A' ' 62' ' ' VAL . 65.5 t -59.88 114.59 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.446 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 2.3 t70 -37.32 142.28 0.4 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.655 0.741 . . . . 0.0 110.85 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.446 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.75 -51.31 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.748 2.299 . . . . 0.0 112.323 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.401 HG21 HG13 ' A' ' 107' ' ' VAL . 2.6 p -52.33 -31.34 32.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.0 t -58.25 133.87 84.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -32.21 18.9 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.68 ' HB3' HG21 ' A' ' 60' ' ' THR . 9.8 mt -85.19 24.06 1.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.974 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.486 ' HA ' HG11 ' A' ' 48' ' ' VAL . 50.4 p -85.09 -53.6 5.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 t -64.92 -38.61 91.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -53.45 122.93 34.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 130.62 19.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.284 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.54 -32.32 6.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.68 HG21 ' HB3' ' A' ' 54' ' ' LEU . 45.7 m -71.9 100.3 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 0.0 111.13 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -112.16 162.69 15.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.601 HG11 HG21 ' A' ' 46' ' ' ILE . 70.6 t -81.91 102.14 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.506 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 80.8 t80 -38.69 116.24 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.506 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 5.6 mt-10 47.42 -147.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -106.8 37.08 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.45 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 27.0 m-85 -81.58 73.85 8.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.567 HD22 HG23 ' A' ' 46' ' ' ILE . 5.8 t30 -154.0 109.57 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.9 p -132.94 139.29 47.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.2 m -95.09 134.23 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.3 mt -118.91 144.58 46.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -129.01 152.05 49.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.458 ' OE1' ' CE2' ' A' ' 150' ' ' TYR . 10.4 pt20 -153.0 128.34 9.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 p -130.49 156.34 44.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -144.76 150.96 38.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 75' ' ' ILE . 2.6 tp -75.55 52.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -135.84 109.33 7.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 8.3 m120 42.46 40.62 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 77' ' ' ASN . 0.6 OUTLIER 47.92 55.03 9.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.429 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 3.0 t-20 -81.04 112.9 18.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 79' ' ' ASN . 4.1 m-20 -133.29 125.78 30.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -129.62 177.37 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -144.62 139.4 28.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.506 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 1.3 t80 -119.53 135.03 54.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.0 mt -126.71 133.65 68.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.9 mt -136.64 110.97 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -127.85 146.22 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.498 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.4 tt -106.89 107.95 19.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.0 mt -92.81 161.98 14.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.513 ' HG2' ' CE2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -137.31 116.07 12.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -80.74 169.49 17.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 m -73.46 -15.36 61.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.511 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 11.1 m-20 -95.97 44.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 38.86 42.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 21.1 m-85 -131.47 122.77 26.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.926 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 14.8 m-85 -92.3 161.64 14.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.579 HG21 HD11 ' A' ' 112' ' ' ILE . 84.9 m -144.06 121.94 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.139 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.4 m -84.74 102.67 13.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -87.04 105.92 17.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -105.86 133.26 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -138.05 115.76 11.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.465 ' NE1' ' HB2' ' A' ' 109' ' ' GLN . 15.2 p90 -129.51 169.24 15.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.56 -126.81 2.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -116.4 152.34 34.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.2 t -67.0 115.31 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.96 25.51 7.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -153.9 170.76 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.401 HG13 HG21 ' A' ' 51' ' ' THR . 94.6 t -73.21 -40.89 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.44 -171.61 43.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.465 ' HB2' ' NE1' ' A' ' 101' ' ' TRP . 42.1 mm-40 -61.89 176.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 72.3 p -142.71 127.14 17.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -144.18 120.75 11.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.579 HD11 HG21 ' A' ' 96' ' ' THR . 6.4 tt -123.74 136.42 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -124.3 130.33 52.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -104.6 118.41 36.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -112.04 125.38 54.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.8 p -64.64 -44.57 90.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.162 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.9 mmt-85 -88.27 158.59 18.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.926 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 21.5 tp -81.66 -52.42 7.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -51.99 -51.06 59.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -46.89 -43.57 18.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.77 -45.36 78.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -56.87 -46.79 81.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -53.19 -43.12 66.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.83 -49.18 49.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.45 ' CE2' ' HB3' ' A' ' 66' ' ' TYR . 5.7 t80 -53.46 -42.22 66.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -80.6 -32.48 36.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.474 ' HZ2' ' HB3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -61.43 -53.0 62.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -60.96 -48.74 80.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -59.13 -52.05 67.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 134' ' ' LYS . 15.1 ttt-85 -65.32 -33.12 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -71.12 -25.75 62.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.583 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 29.6 mmtm -97.07 -25.08 15.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.512 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 69.6 p -110.99 6.73 21.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' ARG . 20.3 mtpp 39.02 36.99 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -143.65 161.12 39.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -91.11 129.95 37.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.5 t-105 -48.86 -38.4 22.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.73 79.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 15.4 mt-10 -92.0 38.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 -64.43 -18.78 65.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -55.81 -47.16 77.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -95.81 38.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 30.7 t80 -57.55 111.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 65.5 t -92.89 117.52 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.185 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.6 p -86.32 99.82 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -79.09 149.3 73.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.81 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 108.53 2.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 109.29 -36.02 4.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -66.22 -176.09 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.775 0.321 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.583 ' CE2' ' HD2' ' A' ' 132' ' ' LYS . 13.7 m-85 -82.38 133.11 35.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 23.8 p -95.26 166.33 11.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 0.9 OUTLIER -110.76 114.37 27.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.534 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -109.65 179.71 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.811 ' O ' HG12 ' A' ' 155' ' ' VAL . 14.5 pt-20 -128.25 10.99 6.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.7 p 50.68 172.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.697 ' H ' HG22 ' A' ' 155' ' ' VAL . 13.2 pt20 -111.12 110.48 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.8 m -112.58 -52.01 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -134.7 156.93 47.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -95.12 -114.53 2.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.0 m -137.25 114.04 10.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.845 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 t -175.44 116.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -143.7 76.5 0.29 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.86 135.63 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -95.71 141.73 28.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -111.83 123.67 50.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -75.97 113.0 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.835 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.7 mm -121.51 144.33 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.826 HG21 HG11 ' A' ' 62' ' ' VAL . 39.4 mm -117.48 134.78 59.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -121.04 130.0 53.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.7 t -56.04 115.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.1 t70 -38.15 142.11 0.48 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.658 0.742 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.72 -43.46 2.68 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.3 p -51.74 -35.2 42.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.0 t -67.05 138.84 95.1 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -51.41 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.921 ' HB3' HG21 ' A' ' 60' ' ' THR . 95.1 mt -43.69 -35.64 1.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -40.51 -50.59 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.2 t -61.14 -46.96 88.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -53.03 128.7 47.96 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 132.66 23.87 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.24 -29.31 11.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.921 HG21 ' HB3' ' A' ' 54' ' ' LEU . 97.9 m -68.16 109.31 3.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 111.127 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -122.16 170.48 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.826 HG11 HG21 ' A' ' 46' ' ' ILE . 91.6 t -87.15 123.83 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 66.1 t80 -64.66 124.09 21.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.577 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 7.1 mt-10 44.17 -143.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -107.86 34.62 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -82.93 81.67 8.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.683 HD22 HG23 ' A' ' 46' ' ' ILE . 8.3 t30 -160.36 107.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.5 m -139.98 161.03 38.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.4 m -115.15 146.63 41.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 54.1 mt -123.15 135.56 54.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -118.91 151.25 38.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.431 ' HB3' ' CD2' ' A' ' 150' ' ' TYR . 1.6 pp0? -154.99 131.85 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.471 HG22 ' OD1' ' A' ' 80' ' ' ASN . 10.8 p -136.88 158.35 44.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -148.31 150.88 34.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.752 HG23 ' O ' ' A' ' 75' ' ' ILE . 9.9 tp -75.64 51.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -136.26 109.84 8.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 42.18 40.55 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.5 m120 44.59 54.94 6.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -86.84 115.09 24.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.471 ' OD1' HG22 ' A' ' 73' ' ' THR . 8.9 m-20 -129.63 133.83 47.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.433 ' N ' HG23 ' A' ' 104' ' ' VAL . 8.2 mtpm? -131.7 178.01 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -153.52 137.27 16.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -117.4 134.47 54.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.9 mt -124.55 132.73 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.456 HG22 ' CD2' ' A' ' 125' ' ' PHE . 84.8 mt -136.74 106.71 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -122.75 143.15 50.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.453 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.3 tt -102.37 111.09 23.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.8 mt -101.84 160.33 14.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.451 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 31.8 tp60 -135.83 116.9 14.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 94' ' ' PHE . 16.7 p30 -85.94 167.77 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.8 p -72.8 1.02 9.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.577 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 8.0 m-80 -99.0 34.35 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 44.69 26.56 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 15.7 m-85 -128.12 129.52 46.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.719 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 46.9 m-85 -91.5 160.87 15.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.455 HG21 HD11 ' A' ' 112' ' ' ILE . 23.2 m -138.34 122.77 18.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.157 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.0 m -85.72 104.13 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -86.79 111.1 20.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -112.04 129.01 56.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.2 ttp85 -135.47 118.34 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 23.2 p90 -129.55 164.05 24.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.86 -162.21 30.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -76.74 135.96 39.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 81' ' ' LYS . 97.5 t -54.53 120.91 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.88 -40.17 2.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -92.5 175.26 6.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.1 t -74.34 -46.29 44.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.67 -160.73 45.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.479 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -72.5 176.14 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 78.8 p -138.86 125.11 20.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -135.79 129.85 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.455 HD11 HG21 ' A' ' 96' ' ' THR . 11.3 tt -133.76 134.42 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -126.07 127.06 45.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -102.23 116.63 33.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -111.11 126.69 55.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.4 p -65.83 -43.85 87.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -89.59 152.84 21.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.719 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 31.5 tp -74.23 -53.39 9.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -50.57 -50.85 52.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.88 -49.44 10.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.26 85.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -55.1 -48.26 73.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -51.09 -42.89 60.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.11 -43.72 73.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.456 ' CD2' HG22 ' A' ' 85' ' ' ILE . 8.1 t80 -60.06 -45.97 91.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -74.25 -46.81 39.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -56.04 -54.95 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 15.8 tppt? -59.93 -54.22 48.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 130' ' ' ARG . 3.6 t80 -50.37 -60.66 2.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 134' ' ' LYS . 9.0 ttt-85 -59.82 -28.79 67.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.81 -22.15 61.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -101.2 -26.79 13.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.436 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 66.2 p -112.35 8.32 19.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 130' ' ' ARG . 22.3 mtpp 41.05 26.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 133' ' ' THR . 31.1 m-80 -132.0 146.13 51.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -77.31 133.47 38.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -56.16 -37.82 70.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.46 -42.03 65.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.8 mt-10 -90.37 35.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -59.85 -20.42 56.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -53.49 -47.74 69.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -95.95 35.26 1.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 25.7 t80 -57.97 108.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 5.8 p -90.77 126.37 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 95.4 p -95.62 100.99 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -83.38 149.62 58.49 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.528 0.68 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 120.64 7.4 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 101.19 -34.9 5.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.62 178.68 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.31 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 72' ' ' GLN . 38.9 m-85 -80.23 144.67 32.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 22.9 p -106.12 164.55 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.3 tt -107.79 116.33 31.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.569 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.17 174.11 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.839 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.801 ' O ' HG12 ' A' ' 155' ' ' VAL . 9.2 pt-20 -125.77 15.51 8.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.801 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.2 p 50.25 172.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.688 ' H ' HG22 ' A' ' 155' ' ' VAL . 0.8 OUTLIER -136.84 130.84 32.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.2 t -83.45 122.04 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.844 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.7 p -41.12 121.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.808 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 159.47 71.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.0 m -161.97 104.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -153.2 103.05 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.32 168.38 25.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -158.01 163.52 37.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -108.81 44.71 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -49.61 140.84 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.511 ' O ' HD13 ' A' ' 45' ' ' ILE . 9.3 ttm-85 -61.49 161.64 9.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.511 HD13 ' O ' ' A' ' 44' ' ' ARG . 28.0 mm -139.53 143.48 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.481 HG21 HG11 ' A' ' 62' ' ' VAL . 19.6 mm -122.61 133.23 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.27 129.59 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.5 t -64.16 119.52 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -38.59 142.08 0.53 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.5 Cg_endo -69.81 -48.21 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.3 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.428 HG21 ' CZ ' ' A' ' 100' ' ' ARG . 32.6 p -49.15 -32.57 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.0 t -70.08 138.48 87.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.64 0.734 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -50.98 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.924 ' HB3' HG21 ' A' ' 60' ' ' THR . 93.4 mt -43.66 -35.47 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -41.16 -49.87 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 m -61.56 -46.42 89.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -54.97 128.18 64.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 139.54 40.67 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.42 -37.41 3.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.924 HG21 ' HB3' ' A' ' 54' ' ' LEU . 96.0 m -59.12 106.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 111.163 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -120.8 161.94 20.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.481 HG11 HG21 ' A' ' 46' ' ' ILE . 92.8 t -80.52 119.8 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.577 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 78.2 t80 -57.81 122.29 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.577 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.3 mt-10 47.53 -145.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 65' ' ' ASP . 20.2 t70 -104.32 39.73 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -81.45 69.67 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 13.9 p-10 -144.99 94.76 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.7 p -125.84 142.78 51.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.8 m -106.21 134.56 49.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -120.44 146.27 46.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -123.37 157.46 33.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.451 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 5.2 tp-100 -153.08 106.97 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.2 p -111.66 158.31 19.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -150.82 145.66 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 75' ' ' ILE . 7.5 tt -75.53 51.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -134.41 109.3 8.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m120 42.64 41.1 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 48.59 54.97 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -83.93 112.1 19.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.591 ' C ' HG23 ' A' ' 104' ' ' VAL . 1.6 m120 -128.51 122.07 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -119.3 178.86 4.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -149.87 129.05 12.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -112.89 135.87 53.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 78.0 mt -130.45 133.35 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.637 HG22 ' CE2' ' A' ' 125' ' ' PHE . 56.0 mt -134.09 105.31 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -120.65 146.65 46.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 tt -107.64 107.93 18.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.3 mt -95.0 167.17 11.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -149.42 124.95 10.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -92.4 169.35 10.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.3 t -59.4 -31.46 69.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.591 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 35.2 m-20 -82.42 46.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 33.16 34.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.4 m-85 -114.62 118.41 33.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.884 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 12.8 m-85 -92.89 167.59 11.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 113' ' ' ASN . 59.7 m -148.91 123.91 10.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.8 m -82.32 104.47 12.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -90.37 103.74 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -113.26 123.15 49.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.428 ' CZ ' HG21 ' A' ' 51' ' ' THR . 57.6 ttp85 -133.54 133.67 42.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -143.34 174.2 10.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.11 -160.52 27.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -75.95 131.63 39.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.591 HG23 ' C ' ' A' ' 80' ' ' ASN . 92.6 t -50.8 126.72 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 105.79 -39.8 2.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -93.1 170.72 9.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 79.5 t -69.61 -45.97 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.19 -166.32 54.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -71.63 145.06 49.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 54.1 p -115.54 129.63 56.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -133.91 114.66 13.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.8 tt -120.71 136.08 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 96' ' ' THR . 6.6 m120 -127.69 132.46 49.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -103.44 116.06 31.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -110.53 118.25 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 35.8 p -61.62 -39.1 90.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -92.74 156.17 17.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.884 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 30.9 tp -78.43 -63.35 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 120' ' ' ASP . 6.9 pt-20 -47.54 -41.87 22.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 119' ' ' GLU . 1.0 OUTLIER -50.66 -45.5 58.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.93 -35.86 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -60.13 -42.39 94.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -61.22 -44.13 97.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -42.47 73.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.637 ' CE2' HG22 ' A' ' 85' ' ' ILE . 3.8 t80 -63.25 -43.89 96.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -73.86 -48.43 31.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -52.85 -56.34 16.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -52.8 -48.39 66.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -59.08 -59.37 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 134' ' ' LYS . 18.3 ttt-85 -58.34 -30.21 66.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -73.01 -26.84 61.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.585 ' HD2' ' CD1' ' A' ' 150' ' ' TYR . 35.8 mmtt -95.07 -24.25 16.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.52 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 62.8 p -114.88 9.57 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' ARG . 18.0 mtpp 36.99 39.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.437 ' O ' ' CB ' ' A' ' 130' ' ' ARG . 3.5 m-80 -144.74 160.07 41.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -89.2 133.94 34.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.7 t-105 -56.21 -39.67 72.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.04 -42.39 76.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.5 mt-10 -91.77 39.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -63.16 -20.74 65.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -53.26 -46.22 69.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -98.17 39.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 47.0 t80 -56.25 104.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 96.0 t -89.55 102.47 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.9 p -81.71 99.65 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -78.5 151.15 77.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.7 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 119.23 6.21 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.637 2.224 . . . . 0.0 112.35 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 109.24 -39.22 2.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.515 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -73.86 177.77 5.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.355 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.585 ' CD1' ' HD2' ' A' ' 132' ' ' LYS . 19.3 m-85 -70.72 158.11 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 15.4 p -115.98 166.49 11.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.193 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.0 OUTLIER -109.94 110.45 21.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.537 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -114.49 169.57 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.822 ' O ' HG12 ' A' ' 155' ' ' VAL . 13.3 pt-20 -117.85 13.82 14.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.822 HG12 ' O ' ' A' ' 154' ' ' GLU . 5.9 p 51.1 172.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.694 ' H ' HG22 ' A' ' 155' ' ' VAL . 9.6 pt20 -93.66 94.5 8.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.7 m -149.04 85.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.4 m -129.28 162.33 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.8 175.62 54.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 p -177.08 129.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -54.1 148.86 10.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.9 98.23 0.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 64.84 142.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.723 0.296 . . . . 0.0 111.12 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 43' ' ' LYS . 11.2 tt0 -121.7 114.72 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' GLU . 36.8 mttm -34.68 115.7 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -61.95 125.79 25.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 mm -94.85 146.97 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.741 HG21 HG11 ' A' ' 62' ' ' VAL . 13.4 mm -123.38 133.91 67.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -110.3 121.52 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.7 t -50.1 123.67 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -47.86 141.51 7.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.536 0.684 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.0 Cg_endo -69.77 -41.8 3.95 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.737 2.292 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.475 HG21 ' CZ ' ' A' ' 100' ' ' ARG . 50.0 p -52.93 -34.84 57.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 37.4 t -71.56 137.04 83.29 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' LEU . 53.9 Cg_endo -69.78 -51.2 0.4 Allowed 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.662 2.241 . . . . 0.0 112.332 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.6 ' HB3' HG21 ' A' ' 60' ' ' THR . 97.0 mt -37.02 -38.6 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -41.29 -50.88 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -50.04 -44.8 51.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -62.16 128.54 91.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.98 61.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.36 -42.34 2.72 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.6 HG21 ' HB3' ' A' ' 54' ' ' LEU . 86.1 m -55.99 107.88 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 111.119 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -121.53 165.93 14.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.741 HG11 HG21 ' A' ' 46' ' ' ILE . 99.2 t -78.6 106.63 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 67.2 t80 -46.07 119.25 2.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.567 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 6.2 mt-10 51.06 -142.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -113.98 42.45 2.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 125' ' ' PHE . 42.2 m-85 -87.37 81.9 7.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -162.04 115.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.5 p -144.09 149.02 35.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.3 m -102.27 132.08 48.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.3 mt -114.99 140.0 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -115.5 148.42 39.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.474 ' HB2' ' CE1' ' A' ' 150' ' ' TYR . 48.1 tt0 -141.67 107.62 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 p -116.18 155.08 28.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -150.3 144.79 25.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 75' ' ' ILE . 7.3 tp -75.59 51.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -136.56 110.04 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 p30 42.65 40.43 2.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 47.76 54.99 9.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.454 ' ND2' ' HE2' ' A' ' 81' ' ' LYS . 11.0 t30 -84.5 112.31 20.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -128.85 141.03 51.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.454 ' HE2' ' ND2' ' A' ' 79' ' ' ASN . 35.5 mttm -143.46 170.11 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -139.2 142.22 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -127.88 132.79 49.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.954 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 79.7 mt -124.29 135.79 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.537 HG22 ' CD2' ' A' ' 125' ' ' PHE . 65.2 mt -135.48 110.94 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -128.52 147.72 50.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 63' ' ' TYR . 1.9 tt -109.27 111.13 22.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.458 ' CD2' HG22 ' A' ' 62' ' ' VAL . 25.5 mt -99.9 151.94 20.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.547 ' HB2' ' CE2' ' A' ' 95' ' ' PHE . 20.7 tt0 -125.92 139.62 53.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -109.51 168.55 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.0 p -71.71 -13.86 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.546 ' O ' ' CG ' ' A' ' 94' ' ' PHE . 13.8 t-20 -93.63 39.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 41.5 25.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 17.1 m-85 -119.99 118.67 31.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.621 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 18.9 m-85 -91.96 167.26 12.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.709 HG21 HD11 ' A' ' 112' ' ' ILE . 24.3 m -142.13 124.37 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.2 m -87.75 103.46 15.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -86.06 123.49 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -121.66 133.69 54.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.475 ' CZ ' HG21 ' A' ' 51' ' ' THR . 31.7 ttt180 -135.66 124.33 23.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.495 ' CH2' ' HB2' ' A' ' 111' ' ' LYS . 17.9 p90 -140.59 169.25 18.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 152.9 -127.73 2.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -113.8 148.61 36.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.42 110.48 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.17 25.91 5.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -160.94 164.58 31.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.366 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 108' ' ' GLY . 0.5 OUTLIER -65.05 -40.19 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.458 ' O ' HG13 ' A' ' 107' ' ' VAL . . . 64.56 -155.48 47.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -77.27 174.23 10.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.9 p -147.94 135.33 20.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.495 ' HB2' ' CH2' ' A' ' 101' ' ' TRP . 0.3 OUTLIER -139.53 153.09 47.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.709 HD11 HG21 ' A' ' 96' ' ' THR . 12.6 tt -147.45 146.05 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -135.83 128.97 31.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -102.17 125.09 48.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -123.89 134.85 53.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 67.0 p -75.26 -42.55 54.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -88.6 149.04 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.621 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 24.7 tp -76.01 -50.38 15.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -54.05 -46.59 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -50.76 -47.02 59.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.99 97.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -60.66 -39.03 86.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 26.0 mtpp -59.54 -47.2 86.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.91 -44.7 63.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.537 ' CD2' HG22 ' A' ' 85' ' ' ILE . 1.8 t80 -58.65 -49.3 78.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -72.17 -55.32 7.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -40.88 -53.2 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 11.8 tppt? -53.86 -52.41 60.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -56.94 -53.57 56.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.0 ttp85 -61.17 -27.0 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -81.82 -28.67 33.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.587 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 35.2 mmtm -88.27 -27.49 21.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 43.5 p -109.32 -3.01 17.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt 49.96 41.08 22.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -153.68 141.52 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -66.27 137.48 56.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -60.93 -37.74 83.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.31 -42.46 88.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.588 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.4 mt-10 -87.77 36.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.7 ptt85 -59.29 -23.2 62.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -50.47 -48.1 56.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.9 OUTLIER -97.17 38.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -58.36 104.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 87.0 t -87.92 130.55 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 89.3 p -98.65 100.05 11.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -76.29 149.81 82.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.631 2.22 . . . . 0.0 112.389 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 104.99 -36.74 4.2 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -64.03 -175.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.587 ' CE2' ' HD2' ' A' ' 132' ' ' LYS . 22.3 m-85 -81.35 141.75 33.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 8.9 p -105.6 166.51 10.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 39.7 tp -106.99 106.19 16.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.595 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -115.59 170.14 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.706 ' O ' HG12 ' A' ' 155' ' ' VAL . 9.8 pt-20 -123.21 20.27 9.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.792 HG22 ' H ' ' A' ' 156' ' ' GLN . 3.2 p 47.69 179.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.792 ' H ' HG22 ' A' ' 155' ' ' VAL . 65.8 mt-30 -124.9 97.18 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 179.913 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.1 p -105.1 140.85 37.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.814 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.1 m -121.59 108.86 14.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.39 150.32 5.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.2 p -178.16 121.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.2 t 58.17 157.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.49 -152.47 24.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.28 82.15 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 111.076 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -121.1 114.29 21.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -105.08 146.99 28.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.9 ttt-85 -98.75 145.64 26.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.2 mm -123.42 143.17 37.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.515 HD12 ' CG ' ' A' ' 67' ' ' ASN . 19.3 mm -126.25 141.99 44.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -123.47 112.78 17.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.49 HG22 HG23 ' A' ' 62' ' ' VAL . 98.3 t -42.99 122.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.2 t70 -39.76 143.78 0.55 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.572 0.701 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.74 -41.79 3.99 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.338 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 p -54.87 -36.17 64.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.5 t -63.28 136.74 96.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.625 0.726 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -51.18 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.768 2.312 . . . . 0.0 112.299 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.782 ' HB3' HG21 ' A' ' 60' ' ' THR . 49.1 mt -43.9 -35.94 2.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.1 t -40.99 -48.41 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 t -57.63 -45.91 84.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -58.09 127.76 80.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.58 33.24 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.382 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.04 -32.13 7.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.782 HG21 ' HB3' ' A' ' 54' ' ' LEU . 87.2 m -66.5 106.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.733 0.302 . . . . 0.0 111.138 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -117.52 175.52 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.49 HG23 HG22 ' A' ' 48' ' ' VAL . 93.4 t -93.11 112.81 26.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 69.6 t80 -49.18 123.22 6.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.577 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 8.9 mt-10 46.39 -142.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -109.36 40.19 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -85.86 84.76 7.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.515 ' CG ' HD12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -155.7 108.5 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.413 ' SG ' HD11 ' A' ' 152' ' ' LEU . 10.6 m -146.6 161.04 41.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -119.34 152.48 36.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.491 HD12 ' HB3' ' A' ' 83' ' ' TYR . 60.9 mt -122.34 144.92 48.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -132.4 155.29 48.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.4 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 7.9 tm0? -155.38 105.07 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.5 p -101.28 152.0 21.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -147.45 141.33 25.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.635 HG23 ' O ' ' A' ' 75' ' ' ILE . 2.5 tp -76.06 51.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -134.75 108.54 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m120 41.79 41.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 46.2 52.21 10.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -95.77 116.05 28.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.487 ' HB2' ' CG2' ' A' ' 104' ' ' VAL . 0.6 OUTLIER -130.69 141.6 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.415 ' N ' HG23 ' A' ' 104' ' ' VAL . 40.3 mtpt -132.94 169.76 16.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -148.06 171.44 15.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.491 ' HB3' HD12 ' A' ' 70' ' ' LEU . 2.2 t80 -150.48 130.08 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.473 HD12 ' HB3' ' A' ' 100' ' ' ARG . 31.5 mt -111.51 137.75 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.546 HG22 ' CD2' ' A' ' 125' ' ' PHE . 75.3 mt -140.65 108.88 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -129.18 153.47 47.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.561 HD22 ' CB ' ' A' ' 63' ' ' TYR . 1.7 tt -115.09 113.85 24.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.662 HD12 HD12 ' A' ' 54' ' ' LEU . 33.2 mt -100.88 159.55 15.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -138.06 125.71 22.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -92.9 170.55 9.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t -66.76 -30.94 71.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.584 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 6.7 m120 -84.24 47.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 92' ' ' ASN . 1.5 ptm85 36.14 34.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 22.8 m-85 -117.22 116.66 27.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.913 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 21.2 m-85 -92.73 166.63 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.498 HG21 HD11 ' A' ' 112' ' ' ILE . 62.6 m -148.36 123.44 10.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.3 m -82.0 102.13 10.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -88.81 110.17 20.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -113.83 140.67 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.823 ' NH1' HG22 ' A' ' 107' ' ' VAL . 11.5 ttm-85 -148.51 119.94 7.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 31.4 p90 -131.92 179.18 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.23 -148.81 20.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -91.06 138.22 31.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.487 ' CG2' ' HB2' ' A' ' 80' ' ' ASN . 93.1 t -61.31 92.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 142.42 -23.12 2.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -120.3 153.31 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.823 HG22 ' NH1' ' A' ' 100' ' ' ARG . 0.8 OUTLIER -43.16 -44.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.526 ' N ' ' CG1' ' A' ' 107' ' ' VAL . . . 84.34 -155.43 31.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -87.26 170.48 11.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 63.0 p -131.32 139.03 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -153.54 121.58 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.498 HD11 HG21 ' A' ' 96' ' ' THR . 12.2 tt -123.11 138.95 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -129.95 122.28 28.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -93.56 131.63 38.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -124.28 129.2 50.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 24.7 p -75.03 -24.63 58.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -105.67 144.23 32.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.913 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 25.7 tp -74.66 -50.63 16.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -51.33 -57.33 9.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.69 -48.13 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.5 -47.24 86.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -57.22 -46.03 83.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -57.6 -46.94 83.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.53 -55.68 16.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.546 ' CD2' HG22 ' A' ' 85' ' ' ILE . 4.8 t80 -48.43 -43.57 34.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -79.03 -35.01 43.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.1 OUTLIER -60.43 -53.2 60.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.6 tppt? -60.52 -52.28 65.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -57.97 -59.04 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.2 ttp85 -50.99 -27.28 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -87.03 -32.75 19.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -82.47 -15.12 53.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 44.6 p -124.49 -4.17 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 49.66 42.86 23.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -155.74 141.31 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -65.75 135.72 55.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -60.07 -38.47 82.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.21 -39.8 86.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.054 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.604 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 13.5 mt-10 -89.53 36.9 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.571 HH12 HD21 ' A' ' 152' ' ' LEU . 3.2 ptm85 -59.98 -24.58 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -49.67 -48.31 49.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -97.03 40.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 61.4 t80 -59.65 104.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 79.7 t -95.92 116.96 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 66.9 p -85.61 99.57 11.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -73.62 151.44 89.24 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.54 0.686 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.71 13.59 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 99.37 -38.52 3.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -72.92 -177.86 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.4 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 41.5 m-85 -80.9 163.89 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.0 p -115.24 166.37 11.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.571 HD21 HH12 ' A' ' 140' ' ' ARG . 37.1 tp -107.12 108.24 19.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.617 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -110.88 175.29 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.785 ' O ' HG12 ' A' ' 155' ' ' VAL . 10.4 pt-20 -126.02 14.91 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.785 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.8 p 50.52 172.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.691 ' H ' HG22 ' A' ' 155' ' ' VAL . 18.8 pt20 -128.86 121.15 27.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.3 m -141.58 167.53 21.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.818 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 80.1 p -135.28 170.33 16.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.64 -146.01 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t -86.13 117.89 25.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.369 . . . . 0.0 110.848 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.5 t -152.0 171.05 18.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.27 69.7 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.42 162.22 41.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.691 0.281 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -59.79 108.65 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -116.5 105.98 13.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -62.46 131.76 50.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.0 mm -131.34 140.82 47.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.705 HG21 HG11 ' A' ' 62' ' ' VAL . 42.9 mm -114.94 132.29 64.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -105.27 135.4 46.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' ASP . 49.5 t -65.56 112.4 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' VAL . 3.5 t70 -34.22 141.86 0.23 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.8 Cg_endo -69.75 -42.41 3.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -52.61 -35.27 54.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.1 t -68.14 138.04 92.05 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -49.3 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.337 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.877 ' HB3' HG21 ' A' ' 60' ' ' THR . 82.1 mt -43.49 -35.9 1.82 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 54' ' ' LEU . 12.9 t -37.28 -57.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.9 m -52.08 -46.5 65.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -58.17 126.66 78.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 143.07 49.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.621 2.214 . . . . 0.0 112.373 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.77 -43.21 1.99 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.877 HG21 ' HB3' ' A' ' 54' ' ' LEU . 87.1 m -59.62 101.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 0.0 111.189 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.461 ' NE2' ' H ' ' A' ' 61' ' ' GLN . 0.2 OUTLIER -116.94 170.03 8.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.705 HG11 HG21 ' A' ' 46' ' ' ILE . 75.6 t -82.37 102.26 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 87.4 t80 -42.91 112.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.564 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 6.1 mt-10 57.28 -145.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.24 40.01 2.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.432 ' HB3' ' CE2' ' A' ' 125' ' ' PHE . 28.5 m-85 -81.42 76.21 8.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.938 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 67' ' ' ASN . 6.5 p-10 -151.42 112.13 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.7 p -137.21 137.9 39.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.1 m -99.05 134.81 41.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 mt -119.71 143.79 47.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -119.85 151.26 39.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.471 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 16.2 tt0 -145.53 108.05 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.538 HG22 ' CG ' ' A' ' 80' ' ' ASN . 10.0 p -110.82 156.92 20.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -148.23 145.94 28.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.684 HG23 ' O ' ' A' ' 75' ' ' ILE . 3.5 tp -75.49 52.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -135.18 109.01 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.6 m120 42.19 40.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 34.2 m120 45.99 55.02 7.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -94.17 118.35 31.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.538 ' CG ' HG22 ' A' ' 73' ' ' THR . 32.1 m-20 -124.57 136.96 54.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -125.85 174.27 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -144.39 164.86 29.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -148.11 127.79 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.7 mt -120.3 135.35 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.187 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.533 HG22 ' CE2' ' A' ' 125' ' ' PHE . 80.3 mt -136.87 105.11 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.109 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -119.24 151.23 38.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 63' ' ' TYR . 1.8 tt -111.58 106.59 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.4 mt -96.02 151.84 19.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.483 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 40.7 tt0 -130.18 130.47 44.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -97.27 170.2 9.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.2 t -68.17 -31.4 70.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.553 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 21.5 m-80 -82.8 47.3 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.8 ptt-85 35.67 38.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 23.5 m-85 -124.55 117.55 24.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.595 ' CE2' HD13 ' A' ' 118' ' ' LEU . 16.7 m-85 -93.05 167.16 11.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.732 HG21 HD11 ' A' ' 112' ' ' ILE . 57.0 m -146.37 119.95 9.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.3 m -83.91 104.19 13.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 50.2 t-105 -89.22 109.44 20.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -106.09 136.73 45.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.1 ttp85 -140.87 124.7 17.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 16.2 p90 -144.92 172.71 12.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.42 -137.05 6.81 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -100.77 131.59 46.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.7 t -48.13 130.81 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 100.74 -44.19 1.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -90.8 176.01 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.7 t -79.21 -41.16 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.71 -149.55 43.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -79.52 162.13 25.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.9 p -134.46 119.45 18.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.58 127.22 38.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.732 HD11 HG21 ' A' ' 96' ' ' THR . 14.3 tt -122.6 144.72 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -131.21 119.5 21.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -94.8 124.47 38.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.57 ' CD1' ' OD1' ' A' ' 120' ' ' ASP . 75.8 m-85 -118.37 146.92 44.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.2 p -87.83 -36.14 17.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -98.42 166.42 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.595 HD13 ' CE2' ' A' ' 95' ' ' PHE . 15.3 tp -87.72 -53.91 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -53.31 -51.32 62.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.57 ' OD1' ' CD1' ' A' ' 115' ' ' PHE . 0.4 OUTLIER -43.76 -48.59 8.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.491 ' N ' ' OD1' ' A' ' 120' ' ' ASP . . . -62.95 -49.55 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -52.89 -43.21 66.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -53.6 -43.46 68.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.93 -44.83 46.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.533 ' CE2' HG22 ' A' ' 85' ' ' ILE . 7.1 t80 -56.08 -42.48 76.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -79.37 -36.51 39.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 1.2 tmmm? -62.52 -55.19 29.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 11.9 tppt? -56.11 -44.46 79.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.86 -51.84 65.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 135' ' ' ASN . 15.1 ttt-85 -65.84 -27.78 68.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -74.81 -28.06 60.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -94.76 -18.84 20.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 134' ' ' LYS . 43.0 p -120.8 10.74 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.182 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 133' ' ' THR . 47.6 mtpt 34.6 37.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' A' ' 130' ' ' ARG . 16.5 m-80 -138.95 164.99 28.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -96.44 132.18 42.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -53.96 -39.08 65.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.87 -43.25 79.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.583 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.1 mt-10 -91.97 39.53 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -63.43 -19.87 65.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.73 -50.83 67.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -92.27 36.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 32.6 t80 -58.16 118.5 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 71.5 t -99.82 130.06 49.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.3 p -98.9 103.45 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -79.15 150.92 75.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 108.78 2.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 107.38 -36.51 4.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.474 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -64.9 -179.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.471 ' CE2' ' HB2' ' A' ' 72' ' ' GLN . 20.4 m-85 -80.12 137.23 36.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 19.0 p -99.23 166.52 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 1.3 tt -109.04 116.53 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.543 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -120.35 172.87 6.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.598 ' O ' HG12 ' A' ' 155' ' ' VAL . 13.3 pt-20 -124.96 22.11 8.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.781 HG22 ' H ' ' A' ' 156' ' ' GLN . 1.4 p 45.21 -176.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.781 ' H ' HG22 ' A' ' 155' ' ' VAL . 0.0 OUTLIER -137.93 114.78 10.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 156' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.3 p -167.04 101.2 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -118.74 156.09 29.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.74 71.82 0.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.1 p -133.72 117.15 16.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.9 t -146.08 -45.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -144.02 -132.93 2.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.525 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 62.05 125.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.299 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -125.05 115.77 21.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -92.9 131.92 37.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -85.32 150.2 24.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 46' ' ' ILE . 45.6 mm -132.39 155.08 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.661 HG21 HG11 ' A' ' 62' ' ' VAL . 38.6 mm -128.42 138.36 54.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 mmm-85 -113.49 128.8 56.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.05 120.36 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -39.95 142.39 0.69 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.603 0.716 . . . . 0.0 110.873 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 54.3 Cg_endo -69.7 -33.46 16.79 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.9 p -60.06 -38.01 81.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.151 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.7 t -66.43 138.37 95.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.574 ' HB3' HG21 ' A' ' 60' ' ' THR . 69.7 mt -43.93 -35.1 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 t -38.79 -50.67 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.3 m -58.97 -46.53 87.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -53.07 124.9 39.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 131.61 21.66 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.5 -37.69 3.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.574 HG21 ' HB3' ' A' ' 54' ' ' LEU . 87.0 m -65.15 107.83 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 111.12 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -123.84 154.58 39.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.661 HG11 HG21 ' A' ' 46' ' ' ILE . 84.0 t -68.82 110.84 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.572 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 74.0 t80 -49.5 122.25 6.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.572 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 7.9 mt-10 46.93 -143.65 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.66 40.13 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -83.23 78.1 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.437 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 5.1 t30 -153.94 102.11 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.4 p -124.57 148.02 48.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.5 m -108.43 134.43 51.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.439 ' HB3' ' CD1' ' A' ' 150' ' ' TYR . 23.3 mt -121.83 132.27 54.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -112.29 151.12 30.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -152.24 107.47 3.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.405 HG22 ' CG ' ' A' ' 80' ' ' ASN . 5.7 p -117.22 157.34 26.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -141.33 159.0 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.708 HG23 ' O ' ' A' ' 75' ' ' ILE . 17.4 tt -83.73 53.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -140.01 111.22 7.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.4 m120 42.89 40.48 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.0 t30 48.02 54.96 9.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.09 114.87 21.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.535 ' O ' HG23 ' A' ' 104' ' ' VAL . 2.9 m-20 -129.56 125.26 35.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -116.04 176.89 4.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -152.77 126.26 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -112.61 136.49 52.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.8 mt -129.35 133.58 65.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.423 HG22 ' CD2' ' A' ' 125' ' ' PHE . 71.6 mt -136.36 108.89 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -125.53 154.41 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.2 tt -113.24 109.41 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.1 mt -94.85 163.29 13.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.594 ' OE1' ' CE2' ' A' ' 95' ' ' PHE . 4.5 tp60 -138.5 118.92 13.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -89.08 167.23 13.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -64.08 -29.13 70.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.59 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 44.1 m-20 -85.64 49.28 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 31.59 37.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.3 m-85 -118.77 119.65 35.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.611 ' CE2' HD13 ' A' ' 118' ' ' LEU . 21.8 m-85 -91.8 161.06 15.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.667 HG21 HD11 ' A' ' 112' ' ' ILE . 97.2 m -143.19 124.86 14.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 18.9 m -87.13 101.48 13.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -87.47 115.75 25.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -120.57 118.55 30.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.5 ttp85 -121.18 125.04 46.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 15.4 p90 -142.13 171.31 14.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.91 -135.6 5.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -103.26 129.0 50.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 80' ' ' ASN . 83.9 t -47.08 136.95 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 96.27 -43.68 2.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -95.27 168.51 10.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.889 0.376 . . . . 0.0 110.825 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 84.7 t -67.14 -44.89 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.03 -149.24 35.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -80.8 169.36 17.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 88.7 p -142.72 120.39 11.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.52 119.73 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.667 HD11 HG21 ' A' ' 96' ' ' THR . 14.4 tt -120.76 138.83 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.162 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.501 ' O ' HG23 ' A' ' 96' ' ' THR . 19.9 m-80 -129.59 139.07 51.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -110.1 121.55 45.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -115.21 122.84 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.5 p -65.16 -40.26 94.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -88.78 153.53 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.611 HD13 ' CE2' ' A' ' 95' ' ' PHE . 19.9 tp -79.98 -53.49 6.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 119' ' ' GLU . 15.2 mp0 -54.04 -49.87 68.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 120' ' ' ASP . 9.9 t0 -46.56 -46.6 19.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.15 -43.58 91.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.576 ' HE3' HD11 ' A' ' 118' ' ' LEU . 56.9 mttt -57.71 -44.31 85.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 20.4 mtpt -55.03 -40.79 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 124' ' ' ASP . 13.8 t0 -71.15 -37.49 72.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.447 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 4.6 t80 -67.84 -42.99 80.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -79.58 -39.21 32.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -62.81 -56.99 12.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 13.5 tppt? -57.97 -45.26 87.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -62.54 -57.99 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 134' ' ' LYS . 19.5 ttp180 -59.92 -29.16 68.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -77.88 -30.46 50.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.437 ' HD2' ' CE2' ' A' ' 150' ' ' TYR . 36.3 mmtm -84.47 -24.79 29.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 60.0 p -113.16 -6.01 13.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 130' ' ' ARG . 28.2 mtpt 54.47 35.82 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.891 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -144.21 169.53 17.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -88.24 146.0 25.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -72.29 -38.28 68.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.39 69.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 142' ' ' HIS . 23.8 mt-10 -88.71 28.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -56.44 -24.97 48.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -48.34 80.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.551 ' CD2' ' HB3' ' A' ' 139' ' ' GLU . 1.7 p-80 -110.62 37.23 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 152' ' ' LEU . 6.3 t80 -48.72 126.1 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 82.9 t -96.82 139.7 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 17.7 t -112.45 148.02 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -126.73 150.03 70.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.523 0.678 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 110.2 2.48 Favored 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.701 2.268 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 112.05 -36.68 4.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -77.87 -174.93 3.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.318 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.439 ' CD1' ' HB3' ' A' ' 70' ' ' LEU . 11.6 m-85 -76.01 161.11 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.0 p -123.28 157.7 32.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -97.52 108.37 21.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.617 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -116.54 171.92 5.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.795 ' O ' HG12 ' A' ' 155' ' ' VAL . 10.5 pt-20 -119.45 15.07 12.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.795 HG12 ' O ' ' A' ' 154' ' ' GLU . 6.1 p 50.39 173.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.694 ' H ' HG22 ' A' ' 155' ' ' VAL . 16.8 pt20 -124.73 132.97 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.941 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -168.22 177.09 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.3 t -143.16 142.17 31.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.5 130.82 1.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -155.6 131.84 10.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.2 p -164.08 139.07 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 59.93 109.6 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.28 126.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.728 0.299 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -111.06 121.48 45.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -107.1 126.19 52.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.516 ' O ' HD13 ' A' ' 45' ' ' ILE . 48.9 ttt85 -51.77 147.96 6.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.516 HD13 ' O ' ' A' ' 44' ' ' ARG . 19.6 mm -138.34 153.52 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.548 HD12 ' ND2' ' A' ' 67' ' ' ASN . 12.8 mm -129.68 137.55 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 mmt-85 -108.0 116.28 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.533 HG22 HG23 ' A' ' 62' ' ' VAL . 71.9 t -46.37 114.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -34.83 142.67 0.24 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.723 . . . . 0.0 110.828 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.9 Cg_endo -69.78 -45.11 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.0 p -54.69 -25.3 26.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.556 ' HA ' ' CH2' ' A' ' 98' ' ' TRP . 1.2 t -75.0 132.53 76.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.703 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.41 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.622 ' HB3' HG21 ' A' ' 60' ' ' THR . 90.7 mt -44.71 -25.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.1 p -48.33 -48.62 36.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.9 p -55.12 -45.54 75.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -55.48 124.89 57.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 131.49 21.31 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.66 2.24 . . . . 0.0 112.298 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.3 -36.61 4.29 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.622 HG21 ' HB3' ' A' ' 54' ' ' LEU . 38.9 m -60.24 97.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 111.134 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -110.78 144.03 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.533 HG23 HG22 ' A' ' 48' ' ' VAL . 61.4 t -61.8 102.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.573 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 57.8 t80 -35.26 131.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.573 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 16.1 mt-10 34.37 -144.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -108.76 37.95 2.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -82.55 77.29 9.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.548 ' ND2' HD12 ' A' ' 46' ' ' ILE . 18.5 p-10 -149.82 107.05 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.4 p -131.31 142.22 50.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.7 m -103.08 133.44 48.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 mt -118.18 145.11 45.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -123.56 154.26 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -147.46 110.13 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.414 HG22 ' OD1' ' A' ' 80' ' ' ASN . 10.3 p -111.91 157.49 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -149.91 146.44 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.691 HG23 ' O ' ' A' ' 75' ' ' ILE . 2.6 tp -75.65 52.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -135.3 109.58 8.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 3.4 m120 41.99 40.67 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 77' ' ' ASN . 1.3 p-10 45.91 53.18 9.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -92.23 116.56 29.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.414 ' OD1' HG22 ' A' ' 73' ' ' THR . 47.1 m-20 -120.72 143.04 48.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -130.87 170.41 14.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -150.27 134.71 17.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.539 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 2.0 t80 -116.74 128.31 55.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.8 mt -112.87 142.91 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.605 HG22 ' CE2' ' A' ' 125' ' ' PHE . 62.8 mt -143.48 115.75 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -137.28 143.81 42.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.5 tt -105.0 112.06 25.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.432 HD12 HD12 ' A' ' 54' ' ' LEU . 36.1 mt -94.27 163.46 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -144.28 125.11 14.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -98.09 167.48 10.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 t -65.04 -23.49 67.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.588 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 11.4 m120 -86.9 46.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 31.6 36.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.588 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.1 m-85 -119.68 116.64 26.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.804 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 42.4 m-85 -91.4 162.16 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.4 m -144.72 126.57 15.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.9 m -82.14 105.85 13.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.556 ' CH2' ' HA ' ' A' ' 52' ' ' CYS . 58.3 t-105 -86.08 108.73 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -113.42 140.59 47.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 107' ' ' VAL . 19.0 ttm-85 -149.5 136.37 19.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 18.2 p90 -148.89 171.06 16.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.07 -154.65 25.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -92.45 137.32 32.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.1 t -55.78 135.21 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.48 -41.58 2.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -98.33 154.1 18.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.449 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 52.6 t -48.68 -48.75 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.0 -151.93 32.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.447 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 12.7 mt-30 -90.61 178.94 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.7 p -150.31 145.03 25.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -151.74 121.48 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.3 tt -121.84 133.12 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -127.65 120.4 27.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -89.88 136.6 32.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -126.2 140.41 52.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.1 p -84.36 -24.87 29.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -105.63 148.24 27.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.804 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 28.0 tp -75.1 -55.01 6.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.415 ' H ' ' CD ' ' A' ' 119' ' ' GLU . 3.8 mp0 -49.18 -55.83 11.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -42.36 -46.34 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.98 -46.19 85.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -56.78 -44.36 81.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 19.1 mtpt -58.52 -47.74 83.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -64.03 -38.44 91.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.605 ' CE2' HG22 ' A' ' 85' ' ' ILE . 7.7 t80 -66.59 -62.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -58.98 -49.28 78.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -52.73 -54.53 32.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 12.0 tppt? -55.52 -49.84 71.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -56.42 -49.76 73.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 49.7 ttp85 -68.33 -29.63 68.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.03 -22.17 59.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.49 ' HD2' ' CE1' ' A' ' 150' ' ' TYR . 60.6 mmtt -102.08 -24.61 13.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.527 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 64.3 p -114.33 10.66 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 133' ' ' THR . 15.6 mtpp 35.22 39.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -145.57 158.2 43.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -88.85 131.41 35.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -52.35 -36.55 53.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.19 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.474 ' HB3' ' NE2' ' A' ' 142' ' ' HIS . 15.0 mt-10 -85.58 30.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -57.72 -11.43 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -62.99 -47.17 84.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.516 ' O ' HG23 ' A' ' 144' ' ' VAL . 1.5 p80 -104.06 36.86 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.527 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 55.5 t80 -45.83 93.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 142' ' ' HIS . 56.9 t -80.1 102.62 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.0 p -83.69 116.42 22.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -89.26 150.28 44.56 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.622 0.725 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 114.79 3.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.746 2.297 . . . . 0.0 112.365 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 114.51 -39.28 2.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -74.89 -175.8 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.539 ' CE2' ' HB2' ' A' ' 83' ' ' TYR . 27.6 m-85 -74.51 162.67 28.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.3 p -120.69 161.72 20.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.094 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 38.3 tp -102.12 110.27 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.541 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -117.26 169.3 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.82 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.589 ' O ' HG12 ' A' ' 155' ' ' VAL . 14.5 pt-20 -122.66 19.49 10.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.802 HG22 ' H ' ' A' ' 156' ' ' GLN . 1.5 p 45.09 -175.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.802 ' H ' HG22 ' A' ' 155' ' ' VAL . 76.0 mt-30 -144.75 86.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.922 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 p 49.91 178.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.905 0.383 . . . . 0.0 110.851 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.6 t -151.78 -47.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.82 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.02 -139.66 27.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 p -143.7 152.96 41.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.1 p -90.88 112.42 24.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.501 ' O ' ' HB2' ' A' ' 41' ' ' ALA . . . 164.58 -64.79 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 40' ' ' GLY . . . 173.96 135.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.312 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -68.06 129.35 39.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -91.9 128.33 37.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -35.47 144.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.7 mm -133.27 141.36 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.56 HG21 HG11 ' A' ' 62' ' ' VAL . 13.6 mm -128.74 138.04 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.53 111.62 18.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.517 ' CG2' HG23 ' A' ' 62' ' ' VAL . 88.9 t -39.18 126.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.443 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.9 t70 -46.04 142.42 3.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.9 Cg_endo -69.77 -34.93 13.57 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.8 p -57.27 -35.99 70.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.8 t -66.86 139.42 95.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.22 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.625 2.217 . . . . 0.0 112.36 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.9 mt -46.6 -33.97 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.1 t -39.13 -45.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 t -58.48 -46.95 85.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -54.53 126.08 54.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.756 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.36 42.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.48 -38.84 2.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.7 m -56.82 113.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.699 0.285 . . . . 0.0 111.13 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -119.31 166.59 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.56 HG11 HG21 ' A' ' 46' ' ' ILE . 70.3 t -84.51 102.04 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.538 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 71.4 t80 -34.47 127.05 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.538 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 13.3 mt-10 35.24 -147.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -97.8 31.57 2.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -73.29 82.66 1.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.465 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.1 OUTLIER -159.92 88.91 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.3 p -115.73 142.2 47.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.435 ' O ' HD23 ' A' ' 70' ' ' LEU . 85.1 m -101.61 137.38 40.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 69' ' ' THR . 24.0 mt -124.16 130.72 53.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -111.14 152.08 27.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -149.32 105.24 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.519 HG22 ' CG ' ' A' ' 80' ' ' ASN . 13.0 p -107.08 157.94 17.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -146.95 145.93 29.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.632 HG23 ' O ' ' A' ' 75' ' ' ILE . 2.6 tp -75.5 52.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -135.57 109.64 8.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 42.07 40.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.3 m120 46.16 54.92 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -93.38 116.66 29.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.519 ' CG ' HG22 ' A' ' 73' ' ' THR . 36.4 m-20 -123.5 132.48 53.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -117.96 174.02 6.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -150.14 133.11 16.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 150' ' ' TYR . 0.5 OUTLIER -119.78 119.47 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.6 mt -111.58 131.06 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.508 HD13 ' HB3' ' A' ' 128' ' ' LYS . 86.9 mt -130.73 105.3 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -122.15 146.51 47.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.0 tt -106.23 116.73 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.3 mt -101.68 163.52 12.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.539 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 22.3 tt0 -148.29 125.0 11.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 94' ' ' PHE . 4.4 p30 -94.5 170.39 9.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 m -74.56 -3.83 33.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.545 ' O ' ' CD2' ' A' ' 94' ' ' PHE . 3.2 m120 -95.49 37.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 mtp-105 40.97 34.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.545 ' CD2' ' O ' ' A' ' 92' ' ' ASN . 20.4 m-85 -131.01 121.9 25.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.694 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 26.2 m-85 -93.57 161.96 14.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.702 HG21 HD11 ' A' ' 112' ' ' ILE . 89.0 m -144.27 118.76 9.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.168 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.5 m -84.65 105.13 15.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -86.99 126.71 34.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -122.82 124.93 44.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -132.3 108.96 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.466 ' NE1' ' HB2' ' A' ' 109' ' ' GLN . 26.7 p90 -123.1 161.97 23.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 153.28 -167.58 31.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -73.88 136.53 43.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.5 t -53.0 117.58 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 115.93 -39.38 2.75 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -92.16 173.61 7.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.7 t -75.24 -42.7 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.3 -165.77 50.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.466 ' HB2' ' NE1' ' A' ' 101' ' ' TRP . 24.1 mt-30 -70.8 158.71 35.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.0 p -120.93 119.05 31.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -135.71 122.32 20.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.702 HD11 HG21 ' A' ' 96' ' ' THR . 6.8 tt -124.28 150.34 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.438 ' O ' HG23 ' A' ' 96' ' ' THR . 11.0 m120 -139.39 132.62 29.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -112.37 122.76 48.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -115.27 136.59 52.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 29.9 p -76.85 -34.43 57.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -102.62 125.09 49.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.694 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 22.4 tp -47.77 -54.91 10.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -46.64 -62.16 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -40.83 -42.99 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.48 -44.11 92.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -58.47 -42.14 86.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 127' ' ' LYS . 21.0 mtpp -55.9 -49.76 72.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -48.47 80.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.469 ' CE2' HG22 ' A' ' 85' ' ' ILE . 5.4 t80 -58.46 -61.14 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.31 -44.09 88.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -54.6 -54.9 35.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.508 ' HB3' HD13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -56.97 -54.07 50.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -52.92 -57.09 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 134' ' ' LYS . 11.8 ttt-85 -62.81 -31.24 72.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -73.42 -25.32 60.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -97.19 -17.85 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.563 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 43.5 p -124.53 13.19 8.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 130' ' ' ARG . 37.5 mtpt 34.14 36.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 133' ' ' THR . 41.7 m-80 -137.41 163.84 30.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -96.68 130.9 43.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -51.74 -41.85 61.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.62 83.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.547 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 14.5 mt-10 -97.08 35.78 1.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.1 ptt85 -61.43 -16.78 50.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -59.47 -51.02 71.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -91.42 34.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.768 ' CE2' HD23 ' A' ' 152' ' ' LEU . 7.6 t80 -56.84 118.23 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 2.6 p -98.88 120.53 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.3 p -89.92 101.01 13.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -82.57 149.84 61.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.552 0.691 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 123.57 10.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 103.1 -43.06 1.74 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.482 ' HZ3' ' HD2' ' A' ' 134' ' ' LYS . 2.9 mmmm -72.44 -174.9 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 83' ' ' TYR . 16.5 m-85 -73.2 176.09 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.2 p -135.76 157.07 47.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.768 HD23 ' CE2' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -95.58 114.03 25.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.657 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -125.38 174.19 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.581 ' O ' HG12 ' A' ' 155' ' ' VAL . 11.2 pt-20 -123.62 22.97 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.763 HG22 ' H ' ' A' ' 156' ' ' GLN . 1.4 p 44.85 -175.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.763 ' H ' HG22 ' A' ' 155' ' ' VAL . 56.8 mt-30 -126.93 104.02 7.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.932 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 p -150.99 159.94 44.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.9 m -42.12 151.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.25 -65.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -81.02 95.41 6.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.5 m 61.86 145.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.34 -176.38 33.75 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.97 137.92 50.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.726 0.298 . . . . 0.0 111.08 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -52.14 107.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -81.05 143.32 32.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -53.0 166.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.4 mm -131.19 140.35 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 47' ' ' ARG . 23.9 mm -116.74 157.1 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.448 ' N ' HG22 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -136.75 118.0 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.499 HG12 ' OG ' ' A' ' 55' ' ' SER . 63.5 t -49.72 112.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -38.17 136.8 0.8 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.571 0.701 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -23.99 29.89 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.254 . . . . 0.0 112.35 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.528 HG21 ' NH1' ' A' ' 100' ' ' ARG . 46.3 p -69.94 -29.28 66.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.66 132.74 92.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.14 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.71 2.274 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.19 -10.76 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.499 ' OG ' HG12 ' A' ' 48' ' ' VAL . 45.5 m -61.59 -47.08 87.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.3 t -53.08 -42.29 65.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -57.95 130.86 83.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.594 0.712 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 130.61 19.73 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.57 -36.85 4.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.1 m -59.71 104.63 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 0.0 111.153 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -120.76 177.42 5.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.444 HG23 HG22 ' A' ' 48' ' ' VAL . 62.1 t -91.13 116.62 32.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 49.0 t80 -55.95 114.5 1.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 9.8 mt-10 54.84 -142.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -107.28 38.01 2.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -79.47 77.37 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -154.85 104.24 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.5 p -128.67 134.35 48.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.9 m -96.24 132.79 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.9 mt -117.85 142.94 46.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -119.07 157.08 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.406 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 8.2 tp-100 -155.39 110.42 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.417 HG22 HD22 ' A' ' 80' ' ' ASN . 2.7 p -124.14 152.92 42.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -141.19 159.18 42.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 75' ' ' ILE . 15.4 tt -82.49 53.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.57 111.69 7.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 m120 42.87 40.51 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 46.98 53.86 9.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -77.26 113.46 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.658 ' C ' HG23 ' A' ' 104' ' ' VAL . 1.1 m120 -122.9 120.84 34.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -118.39 179.14 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -157.91 131.43 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.579 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 1.7 t80 -118.4 123.17 44.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 79.5 mt -114.13 140.64 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.481 HG22 ' CD2' ' A' ' 125' ' ' PHE . 81.0 mt -142.67 109.0 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -124.38 156.7 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.545 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.9 tt -114.46 107.18 15.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 23.2 mt -93.11 154.24 18.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -132.12 117.88 18.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -85.58 170.08 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 m -65.3 -30.54 71.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.584 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . 31.5 m-80 -83.4 46.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 92' ' ' ASN . 9.9 ptm180 35.04 34.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 21.0 m-85 -115.0 118.1 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.832 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 6.7 m-85 -90.82 156.61 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.501 HG21 HD11 ' A' ' 112' ' ' ILE . 51.9 m -143.95 118.54 9.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.94 105.85 14.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 27.3 t-105 -85.98 124.05 32.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -120.55 140.55 51.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.528 ' NH1' HG21 ' A' ' 51' ' ' THR . 37.9 ttt180 -148.28 111.71 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 33.7 p90 -130.44 165.27 22.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.33 -138.24 6.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -91.39 128.74 37.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.658 HG23 ' C ' ' A' ' 80' ' ' ASN . 64.8 t -49.96 124.27 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.47 -42.82 1.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -93.8 170.91 9.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.1 t -69.17 -39.19 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.03 -156.67 53.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.551 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -59.67 174.18 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.8 p -144.12 120.36 10.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.52 132.63 23.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.501 HD11 HG21 ' A' ' 96' ' ' THR . 7.6 tt -131.63 137.78 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.506 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 17.7 m-80 -123.54 120.65 33.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -102.01 116.87 33.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 113' ' ' ASN . 80.1 m-85 -109.44 128.59 55.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 16.8 p -69.66 -44.4 70.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -90.75 149.78 21.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.832 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 36.5 tp -68.18 -55.49 12.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -51.62 -46.96 63.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.01 -43.91 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . . . -65.62 -47.95 73.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -54.81 -42.79 72.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -56.53 -44.7 81.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -67.45 -48.88 65.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.481 ' CD2' HG22 ' A' ' 85' ' ' ILE . 5.0 t80 -57.59 -54.67 44.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.82 -50.73 71.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 2.4 tmmm? -48.07 -57.32 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.462 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -53.2 -56.04 19.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.961 179.807 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -50.61 -59.63 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 134' ' ' LYS . 37.9 ttt180 -58.81 -31.97 68.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -71.71 -28.99 64.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -95.56 -20.17 19.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.496 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 46.8 p -117.02 9.68 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 130' ' ' ARG . 37.1 mtpt 35.28 38.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 144' ' ' VAL . 3.4 m-80 -143.61 161.55 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -84.1 139.05 32.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -66.91 -33.99 76.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.16 -43.64 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.554 ' HB2' ' CE1' ' A' ' 142' ' ' HIS . 9.3 mt-10 -90.28 35.69 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -55.96 -12.89 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.8 -42.45 99.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.618 ' O ' HG23 ' A' ' 144' ' ' VAL . 0.8 OUTLIER -102.08 39.18 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.496 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 60.9 t80 -49.56 92.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 142' ' ' HIS . 46.8 t -84.61 107.26 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 t -86.3 150.27 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -126.53 152.15 73.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.587 0.708 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 112.49 3.09 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.306 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 116.4 -31.23 6.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -85.17 -176.29 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.327 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 83' ' ' TYR . 20.2 m-85 -79.07 160.12 27.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.3 p -117.82 166.49 12.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 143' ' ' PHE . 35.8 tp -106.35 113.47 27.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.562 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -119.43 173.87 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.578 ' O ' HG12 ' A' ' 155' ' ' VAL . 12.8 pt-20 -126.41 18.89 7.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.813 HG22 ' H ' ' A' ' 156' ' ' GLN . 1.5 p 44.9 -174.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.813 ' H ' HG22 ' A' ' 155' ' ' VAL . 20.9 mt-30 -141.13 84.08 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.914 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.6 p -168.91 157.98 8.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.832 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.4 p -172.32 138.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.49 -101.3 0.87 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.7 p -156.25 118.17 3.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.374 . . . . 0.0 110.891 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -117.84 -56.01 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 159.51 81.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.67 131.38 5.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -136.06 134.12 38.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -92.42 115.46 28.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 44' ' ' ARG . 13.0 ttm105 -56.0 134.66 52.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.502 HG21 HH21 ' A' ' 47' ' ' ARG . 30.0 mm -121.86 139.74 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.56 HG21 HG11 ' A' ' 62' ' ' VAL . 28.9 mm -118.65 144.78 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.502 HH21 HG21 ' A' ' 45' ' ' ILE . 26.1 mmt85 -130.74 112.49 13.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.414 HG22 HG23 ' A' ' 62' ' ' VAL . 86.1 t -43.01 116.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.446 ' CG ' ' HD2' ' A' ' 50' ' ' PRO . 1.1 t70 -40.99 142.64 0.82 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.583 0.706 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.446 ' HD2' ' CG ' ' A' ' 49' ' ' ASP . 53.4 Cg_endo -69.79 -44.86 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.5 p -55.01 -28.93 55.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.5 t -68.06 135.94 91.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.728 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.642 ' HB3' HG21 ' A' ' 60' ' ' THR . 88.9 mt -42.52 -36.94 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 p -41.29 -45.83 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.4 m -55.77 -47.1 77.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -58.36 127.1 80.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.53 28.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.75 -30.09 11.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.642 HG21 ' HB3' ' A' ' 54' ' ' LEU . 92.4 m -61.98 110.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 111.093 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -126.6 152.78 46.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.56 HG11 HG21 ' A' ' 46' ' ' ILE . 95.1 t -69.0 113.99 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' ' 64' ' ' GLU . 49.8 t80 -53.04 112.78 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.557 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 8.5 mt-10 58.81 -141.39 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -109.17 43.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -88.31 80.99 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -162.29 121.55 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.2 m -161.25 156.07 23.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.6 m -106.11 144.77 32.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.9 mt -121.86 142.11 50.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -124.73 144.42 50.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.481 ' HB2' ' CE2' ' A' ' 150' ' ' TYR . 6.2 tp60 -146.33 113.62 6.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.6 p -117.32 157.33 26.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -149.1 148.1 29.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 75' ' ' ILE . 6.9 tt -75.56 51.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.138 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -134.05 108.92 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 42.4 41.1 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 48.82 54.98 9.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.429 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 4.9 t-20 -82.64 112.41 19.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 79' ' ' ASN . 2.6 m-20 -131.64 123.88 28.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -132.77 172.06 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -139.6 151.63 46.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -133.59 129.94 37.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.507 HD12 ' HB3' ' A' ' 100' ' ' ARG . 14.5 mt -115.57 140.53 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.588 HG22 ' CD2' ' A' ' 125' ' ' PHE . 31.1 mt -142.47 109.42 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -130.14 145.31 51.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.51 HD22 ' CD2' ' A' ' 63' ' ' TYR . 1.7 tt -105.31 115.66 30.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.615 HD12 HD12 ' A' ' 54' ' ' LEU . 23.9 mt -106.07 161.61 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.495 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 3.5 tm0? -144.9 129.13 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -96.03 171.35 8.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 t -83.79 28.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -122.87 23.57 9.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 59.61 25.0 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -127.24 131.81 50.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.579 ' CE2' HD13 ' A' ' 118' ' ' LEU . 53.1 m-85 -101.12 154.16 18.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.7 m -134.08 127.49 32.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.14 111.28 21.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -89.69 119.67 30.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -122.13 149.39 43.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.58 ' NH1' HG12 ' A' ' 107' ' ' VAL . 14.6 ttm-85 -154.88 139.72 17.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 33.9 p90 -148.78 176.43 10.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.15 -166.57 27.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -76.64 137.65 39.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.918 0.389 . . . . 0.0 110.825 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.5 t -56.22 124.64 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.03 -42.32 1.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -94.54 168.33 10.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.58 HG12 ' NH1' ' A' ' 100' ' ' ARG . 22.6 t -67.9 -47.2 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.57 -150.36 36.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.427 ' O ' ' NH1' ' A' ' 100' ' ' ARG . 9.2 mm100 -87.55 -176.22 5.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 79.7 p -155.42 144.52 20.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -150.56 145.29 25.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.4 tt -137.42 137.16 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.138 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -122.73 130.88 53.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -103.32 132.97 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -125.13 141.63 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 28.6 p -78.69 -40.25 34.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -96.57 148.0 23.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.579 HD13 ' CE2' ' A' ' 95' ' ' PHE . 15.6 tp -70.91 -52.29 20.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -51.18 -52.14 47.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -45.33 -43.95 11.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.49 -48.62 71.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -54.65 -43.94 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -55.67 -50.19 70.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.12 -44.67 96.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.588 ' CD2' HG22 ' A' ' 85' ' ' ILE . 3.9 t80 -59.92 -58.82 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -62.33 -39.41 92.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -56.26 -54.71 42.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 11.7 tppt? -58.22 -53.87 53.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -57.3 -64.8 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -52.51 -16.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 127' ' ' LYS . 7.7 mm-40 -91.02 -26.86 18.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.511 ' HD2' ' CD1' ' A' ' 150' ' ' TYR . 41.2 mmtt -95.73 -19.77 19.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.466 ' HB ' ' CE2' ' A' ' 143' ' ' PHE . 44.9 p -115.64 -6.95 12.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.403 ' CD ' ' HG3' ' A' ' 149' ' ' LYS . 56.3 mtpt 51.3 39.35 23.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -150.14 141.42 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -63.25 139.01 58.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -64.87 -33.81 76.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.25 -38.08 68.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.598 ' O ' ' CD2' ' A' ' 142' ' ' HIS . 12.8 mt-10 -92.11 35.23 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.4 ptt85 -59.28 -20.93 58.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -53.2 -45.95 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -98.78 40.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.466 ' CE2' ' HB ' ' A' ' 133' ' ' THR . 60.2 t80 -57.36 111.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.467 ' O ' ' CD2' ' A' ' 146' ' ' HIS . 89.9 t -98.28 109.9 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 84.5 p -79.28 99.46 7.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 144' ' ' VAL . 8.8 m-70 -81.89 142.66 48.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.584 0.707 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.23 4.0 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.242 . . . . 0.0 112.367 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 119.44 -39.03 2.62 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.403 ' HG3' ' CD ' ' A' ' 134' ' ' LYS . 20.9 mmmt -83.04 -179.25 7.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.511 ' CD1' ' HD2' ' A' ' 132' ' ' LYS . 30.2 m-85 -72.97 160.47 32.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 17.4 p -117.04 160.69 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.171 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 35.0 tp -103.51 107.26 18.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.654 HD13 ' N ' ' A' ' 153' ' ' ILE . 0.0 OUTLIER -110.43 168.67 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.833 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.796 ' O ' HG12 ' A' ' 155' ' ' VAL . 9.3 pt-20 -115.98 12.35 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 154' ' ' GLU . 7.6 p 50.49 172.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLN . . . . . 0.69 ' H ' HG22 ' A' ' 155' ' ' VAL . 25.1 mt-30 -103.97 104.06 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 179.954 . . . . . . . . 0 0 . 1 stop_ save_